3-methoxy-2-phenylquinoline-4-carboxylic acid

C17H13NO3 — CID 624348

IUPAC3-methoxy-2-phenylquinoline-4-carboxylic acid
SMILESCOc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H13NO3/c1-21-16-14(17(19)20)12-9-5-6-10-13(12)18-15(16)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,20)
InChIKeyLOHMJODBCXKQCW-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds3

About 3-methoxy-2-phenylquinoline-4-carboxylic acid

3-methoxy-2-phenylquinoline-4-carboxylic acid (PubChem CID 624348) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-methoxy-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-2-phenylquinoline-4-carboxylic acid
PubChem CID624348
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-methoxy-2-phenylquinoline-4-carboxylic acid
SMILESCOc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H13NO3/c1-21-16-14(17(19)20)12-9-5-6-10-13(12)18-15(16)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,20)
InChIKeyLOHMJODBCXKQCW-UHFFFAOYSA-N
XLogP3.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Veliflapon
CID 123723
Oxycinchophen
CID 10239
4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
CID 67024
4-Methoxy-2-quinolinecarboxylic acid
CID 594596
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
N',2-diphenylquinoline-4-carbohydrazide
CID 16049828
3-methyloxy-N',2-diphenyl-4-quinolinecarbohydrazide
CID 44419758
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
6-Methoxy-2-phenyl-4-quinolinecarboxylic acid
CID 237402

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 3-methoxy-2-phenylquinoline-4-carboxylic acid (CID 624348) is 3-methoxy-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 3-methoxy-2-phenylquinoline-4-carboxylic acid is COc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 3-methoxy-2-phenylquinoline-4-carboxylic acid?
The InChIKey is LOHMJODBCXKQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-16-14(17(19)20)12-9-5-6-10-13(12)18-15(16)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,20).
What are the key properties of 3-methoxy-2-phenylquinoline-4-carboxylic acid?
3-methoxy-2-phenylquinoline-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 624348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).