1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid

C19H17NO4 — CID 72696733

IUPAC1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H17NO4/c1-2-20-17-11-15(24-12-13-6-4-3-5-7-13)9-8-14(17)10-16(18(20)21)19(22)23/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyJSJRAXVQQYZLCX-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.30
Rot. Bonds5

About 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid

1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid (PubChem CID 72696733) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
PubChem CID72696733
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H17NO4/c1-2-20-17-11-15(24-12-13-6-4-3-5-7-13)9-8-14(17)10-16(18(20)21)19(22)23/h3-11H,2,12H2,1H3,(H,22,23)
InChIKeyJSJRAXVQQYZLCX-UHFFFAOYSA-N
XLogP3.30
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid (CID 72696733) is 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid is CCn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The InChIKey is JSJRAXVQQYZLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-20-17-11-15(24-12-13-6-4-3-5-7-13)9-8-14(17)10-16(18(20)21)19(22)23/h3-11H,2,12H2,1H3,(H,22,23).
What are the key properties of 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 72696733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).