2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid

C24H19NO4 — CID 95560580

IUPAC2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-28-17-11-7-15(8-12-17)21-22(24(26)27)19-5-3-4-6-20(19)25-23(21)16-9-13-18(29-2)14-10-16/h3-14H,1-2H3,(H,26,27)
InChIKeySMHDARQQMQFNPL-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.28
Rot. Bonds5

About 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid

2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 95560580) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID95560580
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19NO4/c1-28-17-11-7-15(8-12-17)21-22(24(26)27)19-5-3-4-6-20(19)25-23(21)16-9-13-18(29-2)14-10-16/h3-14H,1-2H3,(H,26,27)
InChIKeySMHDARQQMQFNPL-UHFFFAOYSA-N
XLogP5.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643832
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
CID 5216026
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
methyl 2-[2-(4-methoxyphenyl)-4-phenylquinolin-3-yl]sulfanylacetate
CID 73347743
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid (CID 95560580) is 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid is COc1ccc(-c2nc3ccccc3c(C(=O)O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is SMHDARQQMQFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-28-17-11-7-15(8-12-17)21-22(24(26)27)19-5-3-4-6-20(19)25-23(21)16-9-13-18(29-2)14-10-16/h3-14H,1-2H3,(H,26,27).
What are the key properties of 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid?
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 95560580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).