8-Bromo-4-methylquinoline - CAS 172939-50-3

Catalog:	BB012872
Product Name:	8-Bromo-4-methylquinoline
CAS:	172939-50-3
Synonyms:	8-bromo-4-methylquinoline; 8-bromo-4-methylquinoline

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-4-methylquinoline
Description:	8-Bromo-4-methylquinoline (CAS# 172939-50-3) is a useful research chemical.
Molecular Weight:	222.08
Molecular Formula:	C10H8BrN
Canonical SMILES:	CC1=C2C=CC=C(C2=NC=C1)Br
InChI:	InChI=1S/C10H8BrN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,1H3
InChI Key:	RNCFUSVOFDOIRR-UHFFFAOYSA-N
Boiling Point:	315.773 °C at 760 mmHg
Density:	1.488 g/cm³
LogP:	3.30570

Publication Number	Title	Priority Date
WO-2021023813-A1	5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists	20190806
AU-2014337154-B2	Co-crystals of (s)-N-methyl-8-(1-((2'-methyl-[4,5'-bipyrimidin]-6-yl)amino)propan-2-yl)quinoline-4-carboxamide and deuterated derivatives thereof as DNA-PK inhibitors	20131017
AU-2014337208-B2	DNA-PK inhibitors	20131017
AU-2018217249-A1	Co-crystals of (s)-N-methyl-8-(1-((2'-methyl-[4,5'-bipyrimidin]-6-yl)amino)propan-2-yl)quinoline-4-carboxamide and deuterated derivatives thereof as DNA-PK inhibitors	20131017
CA-2927392-A1	Dna-pk inhibitors	20131017

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Related Functional Groups

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[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[391-02-6]
Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
[179943-57-8]
Ethyl 7-Bromo-4-hydroxy-3-quinolinecarboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.98401
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5