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

C18H15NO4 — CID 72696732

IUPAC1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22)
InChIKeyIFCPZZJRABZNDF-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.82
Rot. Bonds4

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

1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid (PubChem CID 72696732) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
PubChem CID72696732
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22)
InChIKeyIFCPZZJRABZNDF-UHFFFAOYSA-N
XLogP2.82
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid (CID 72696732) is 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid is Cn1c(=O)c(C(=O)O)cc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
The InChIKey is IFCPZZJRABZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-19-16-10-14(23-11-12-5-3-2-4-6-12)8-7-13(16)9-15(17(19)20)18(21)22/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid?
1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-7-phenylmethoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 72696732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).