8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid

C19H17NO4 — CID 82213153

IUPAC8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3C)c12
InChIInChI=1S/C19H17NO4/c1-12-5-3-4-6-14(12)11-20-17(21)8-7-13-9-15(19(22)23)10-16(24-2)18(13)20/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyRSMKGKYEJMHOKP-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.07
Rot. Bonds4

About 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid

8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid (PubChem CID 82213153) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
PubChem CID82213153
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3C)c12
InChIInChI=1S/C19H17NO4/c1-12-5-3-4-6-14(12)11-20-17(21)8-7-13-9-15(19(22)23)10-16(24-2)18(13)20/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyRSMKGKYEJMHOKP-UHFFFAOYSA-N
XLogP3.07
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947439
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213063
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
5,7-dimethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947547
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
(4-bromo-3,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 27841153
2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid
CID 82163637
2-methyl-3-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 65172846
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 17366969
8-methoxy-4-methyl-1-(naphthalen-1-ylmethyl)quinolin-2-one
CID 39768466
3-[(2-methylphenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062902

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid (CID 82213153) is 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid is COc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3C)c12.
What is the InChIKey of 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The InChIKey is RSMKGKYEJMHOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-5-3-4-6-14(12)11-20-17(21)8-7-13-9-15(19(22)23)10-16(24-2)18(13)20/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82213153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).