2-Chloro-6,8-dimethylquinoline-3-carboxaldehyde - CAS 73568-31-7

Catalog:	BB034870
Product Name:	2-Chloro-6,8-dimethylquinoline-3-carboxaldehyde
CAS:	73568-31-7
Synonyms:	2-chloro-6,8-dimethylquinoline-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6,8-dimethylquinoline-3-carbaldehyde
Description:	2-Chloro-6,8-dimethylquinoline-3-carboxaldehyde (CAS# 73568-31-7 ) is a useful research chemical.
Molecular Weight:	219.67
Molecular Formula:	C12H10ClNO
Canonical SMILES:	CC1=CC2=CC(=C(N=C2C(=C1)C)Cl)C=O
InChI:	InChI=1S/C12H10ClNO/c1-7-3-8(2)11-9(4-7)5-10(6-15)12(13)14-11/h3-6H,1-2H3
InChI Key:	FXUMJBPZONRYQS-UHFFFAOYSA-N
Boiling Point:	365.4 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	3.31750

Publication Number	Title	Priority Date
WO-2019051185-A1	COMPOUNDS, COMPOSITIONS AND METHODS FOR SELECTIVE INHIBITION OF BETA-GLUCURONIDASES AND MITIGATION OF SIDE EFFECTS ASSOCIATED WITH DIARRHEA CAUSED BY MEDICINAL TREATMENT	20170908
US-2021094917-A1	Compounds, compositions, and methods for selectively inhibiting b-glucuronidases and alleviating side effects associated with drug treatment induced diarrhea	20170908
AU-2016336437-A1	Compounds, compositions, and methods for modulating CFTR	20151006
AU-2016336437-B2	Compounds, compositions, and methods for modulating CFTR	20151006
CA-3000483-A1	Compounds, compositions, and methods for modulating cftr	20151006

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Related Functional Groups

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[36034-54-5]
4-Methoxyisoquinoline
[891782-60-8]
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[1245816-24-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0450916
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3