6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C14H12N2O2 — CID 70502328

IUPAC6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)n3cccc3)ccc2N1
InChIInChI=1S/C14H12N2O2/c17-13-6-4-10-9-11(3-5-12(10)15-13)14(18)16-7-1-2-8-16/h1-3,5,7-9H,4,6H2,(H,15,17)
InChIKeyBQQKEUWYRNTXMK-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.06
Rot. Bonds1

About 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70502328) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID70502328
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)n3cccc3)ccc2N1
InChIInChI=1S/C14H12N2O2/c17-13-6-4-10-9-11(3-5-12(10)15-13)14(18)16-7-1-2-8-16/h1-3,5,7-9H,4,6H2,(H,15,17)
InChIKeyBQQKEUWYRNTXMK-UHFFFAOYSA-N
XLogP2.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 102711615
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120658327
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103714923
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 126811624
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
6-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 51648692

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 70502328) is 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)n3cccc3)ccc2N1.
What is the InChIKey of 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BQQKEUWYRNTXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-6-4-10-9-11(3-5-12(10)15-13)14(18)16-7-1-2-8-16/h1-3,5,7-9H,4,6H2,(H,15,17).
What are the key properties of 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70502328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).