8-Methoxyquinoline-2-carbaldehyde - CAS 103854-64-4

Catalog:	BB001236
Product Name:	8-Methoxyquinoline-2-carbaldehyde
CAS:	103854-64-4
Synonyms:	8-methoxyquinoline-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	8-methoxyquinoline-2-carbaldehyde
Description:	8-Methoxyquinoline-2-carbaldehyde can be used to treat cancer.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	COC1=CC=CC2=C1N=C(C=C2)C=O
InChI:	InChI=1S/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3
InChI Key:	WXFAZCYUMXZXBA-UHFFFAOYSA-N
Boiling Point:	353.7 °C at 760 mmHg
Purity:	95 %
Density:	1.227 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.05590

Publication Number	Title	Priority Date
CN-110240590-A	A kind of pyrimidine quinoline and its preparation method and application	20190716
WO-2021008588-A1	Class of pyrimidine quinoline derivatives and preparation method therefor and application thereof	20190716
US-2017360801-A1	Bromodomain inhibitor as adjuvant in cancer immunotherapy	20141205
US-10813939-B2	Bromodomain inhibitor as adjuvant in cancer immunotherapy	20141205
US-2015291521-A1	Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors	20121102

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.06332853
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2