8-methoxy-2-phenylquinoline-4-carboxylic acid

C17H13NO3 — CID 707375

IUPAC8-methoxy-2-phenylquinoline-4-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12
InChIInChI=1S/C17H13NO3/c1-21-15-9-5-8-12-13(17(19)20)10-14(18-16(12)15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20)
InChIKeyASHDEYOBUFZOND-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds3

About 8-methoxy-2-phenylquinoline-4-carboxylic acid

8-methoxy-2-phenylquinoline-4-carboxylic acid (PubChem CID 707375) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 8-methoxy-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2-phenylquinoline-4-carboxylic acid
PubChem CID707375
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name8-methoxy-2-phenylquinoline-4-carboxylic acid
SMILESCOc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12
InChIInChI=1S/C17H13NO3/c1-21-15-9-5-8-12-13(17(19)20)10-14(18-16(12)15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20)
InChIKeyASHDEYOBUFZOND-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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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 8-methoxy-2-phenylquinoline-4-carboxylic acid (CID 707375) is 8-methoxy-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methoxy-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 8-methoxy-2-phenylquinoline-4-carboxylic acid is COc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12.
What is the InChIKey of 8-methoxy-2-phenylquinoline-4-carboxylic acid?
The InChIKey is ASHDEYOBUFZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-15-9-5-8-12-13(17(19)20)10-14(18-16(12)15)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,20).
What are the key properties of 8-methoxy-2-phenylquinoline-4-carboxylic acid?
8-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 8-methoxy-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 707375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).