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

C20H19NO3 — CID 94947439

IUPAC8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3C)c12
InChIInChI=1S/C20H19NO3/c1-3-14-10-17(20(23)24)11-15-8-9-18(22)21(19(14)15)12-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyDLCAVVJJFPGRMK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.62
Rot. Bonds4

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

8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid (PubChem CID 94947439) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
PubChem CID94947439
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3C)c12
InChIInChI=1S/C20H19NO3/c1-3-14-10-17(20(23)24)11-15-8-9-18(22)21(19(14)15)12-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyDLCAVVJJFPGRMK-UHFFFAOYSA-N
XLogP3.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 82213153
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
1-[(2-chlorophenyl)methyl]-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213063
5,7-dimethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947547
3-[(2-methylphenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxylic acid
CID 82062902
2-methyl-3-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 65172846
2-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 69277932
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
8-chloro-1-(2-methylpropyl)-2-oxoquinoline-6-carboxylic acid
CID 82212983
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
3-ethyl-1-[(2-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 82294116

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid (CID 94947439) is 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid is CCc1cc(C(=O)O)cc2ccc(=O)n(Cc3ccccc3C)c12.
What is the InChIKey of 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
The InChIKey is DLCAVVJJFPGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-14-10-17(20(23)24)11-15-8-9-18(22)21(19(14)15)12-16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,24).
What are the key properties of 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid?
8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 94947439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).