4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid

C15H11NO3 — CID 154144865

IUPAC4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2c3ccccc3ccc21
InChIInChI=1S/C15H11NO3/c1-16-8-11(15(18)19)14(17)13-10-5-3-2-4-9(10)6-7-12(13)16/h2-8H,1H3,(H,18,19)
InChIKeyUIAWLKDREGEYOT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.39
Rot. Bonds1

About 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid

4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid (PubChem CID 154144865) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
PubChem CID154144865
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2c3ccccc3ccc21
InChIInChI=1S/C15H11NO3/c1-16-8-11(15(18)19)14(17)13-10-5-3-2-4-9(10)6-7-12(13)16/h2-8H,1H3,(H,18,19)
InChIKeyUIAWLKDREGEYOT-UHFFFAOYSA-N
XLogP2.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964
2-(1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70512999
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 46741603
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 68748254
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
6-hydroxy-1-methyl-4-oxo-7-(4-quinolin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 42609842

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid?
The IUPAC name of 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid (CID 154144865) is 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2c3ccccc3ccc21.
What is the InChIKey of 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid?
The InChIKey is UIAWLKDREGEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-16-8-11(15(18)19)14(17)13-10-5-3-2-4-9(10)6-7-12(13)16/h2-8H,1H3,(H,18,19).
What are the key properties of 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid?
4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxobenzo[f]quinoline-2-carboxylic acid is sourced from PubChem (CID 154144865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).