4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid

C18H13F2NO3 — CID 67961965

IUPAC4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid
SMILESCOc1ccc(F)c(-c2ccnc3c(C)cc(C(=O)O)cc23)c1F
InChIInChI=1S/C18H13F2NO3/c1-9-7-10(18(22)23)8-12-11(5-6-21-17(9)12)15-13(19)3-4-14(24-2)16(15)20/h3-8H,1-2H3,(H,22,23)
InChIKeyWIZAWQMFAKRFLH-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.20
Rot. Bonds3

About 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid

4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid (PubChem CID 67961965) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid
PubChem CID67961965
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid
SMILESCOc1ccc(F)c(-c2ccnc3c(C)cc(C(=O)O)cc23)c1F
InChIInChI=1S/C18H13F2NO3/c1-9-7-10(18(22)23)8-12-11(5-6-21-17(9)12)15-13(19)3-4-14(24-2)16(15)20/h3-8H,1-2H3,(H,22,23)
InChIKeyWIZAWQMFAKRFLH-UHFFFAOYSA-N
XLogP4.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-8-methylquinoline-6-carboxylic acid
CID 67961064
4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
CID 67961895
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
7-methoxy-3-methyl-2H-indazole-5-carboxylic acid
CID 66920545
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
CID 67961034
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
CID 107513998
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648
4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
CID 145364125
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid (CID 67961965) is 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid is COc1ccc(F)c(-c2ccnc3c(C)cc(C(=O)O)cc23)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid?
The InChIKey is WIZAWQMFAKRFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c1-9-7-10(18(22)23)8-12-11(5-6-21-17(9)12)15-13(19)3-4-14(24-2)16(15)20/h3-8H,1-2H3,(H,22,23).
What are the key properties of 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid?
4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid has a molecular weight of 329.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 67961965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).