2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid

C19H17NO4 — CID 841838

IUPAC2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3cc(C)ccc3n2)c1
InChIInChI=1S/C19H17NO4/c1-11-4-6-16-13(8-11)14(19(21)22)10-17(20-16)15-9-12(23-2)5-7-18(15)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyRRSNSXSYRRRCNC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.93
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid

2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 841838) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
PubChem CID841838
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3cc(C)ccc3n2)c1
InChIInChI=1S/C19H17NO4/c1-11-4-6-16-13(8-11)14(19(21)22)10-17(20-16)15-9-12(23-2)5-7-18(15)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyRRSNSXSYRRRCNC-UHFFFAOYSA-N
XLogP3.93
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139738
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
2-(2-methoxy-5-methylphenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 4024988
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid (CID 841838) is 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid is COc1ccc(OC)c(-c2cc(C(=O)O)c3cc(C)ccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is RRSNSXSYRRRCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-4-6-16-13(8-11)14(19(21)22)10-17(20-16)15-9-12(23-2)5-7-18(15)24-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid?
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 841838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).