1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid

C20H15NO4 — CID 142731852

IUPAC1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n(C(=O)C2Cc3ccccc3C2)c1=O
InChIInChI=1S/C20H15NO4/c22-18(15-9-12-5-1-2-6-13(12)10-15)21-17-8-4-3-7-14(17)11-16(19(21)23)20(24)25/h1-8,11,15H,9-10H2,(H,24,25)
InChIKeyZJVYKJYMQVKZPG-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.75
Rot. Bonds2

About 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid

1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid (PubChem CID 142731852) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid
PubChem CID142731852
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n(C(=O)C2Cc3ccccc3C2)c1=O
InChIInChI=1S/C20H15NO4/c22-18(15-9-12-5-1-2-6-13(12)10-15)21-17-8-4-3-7-14(17)11-16(19(21)23)20(24)25/h1-8,11,15H,9-10H2,(H,24,25)
InChIKeyZJVYKJYMQVKZPG-UHFFFAOYSA-N
XLogP2.75
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid
CID 142731573
1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731690
1-(4-cyanobenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731962
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-2-yl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731855
3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
CID 79679992
(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 112527022
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
CID 118001820
1-[2-(4-iodophenyl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731743

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid (CID 142731852) is 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2n(C(=O)C2Cc3ccccc3C2)c1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid?
The InChIKey is ZJVYKJYMQVKZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-18(15-9-12-5-1-2-6-13(12)10-15)21-17-8-4-3-7-14(17)11-16(19(21)23)20(24)25/h1-8,11,15H,9-10H2,(H,24,25).
What are the key properties of 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid?
1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 142731852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).