4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one

C18H14N2O2 — CID 72892217

IUPAC4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1Cc2ccccc2C1
InChIInChI=1S/C18H14N2O2/c21-17-9-15(14-7-3-4-8-16(14)19-17)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9H,10-11H2,(H,19,21)
InChIKeyLNDYCFGMUHWRQG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.68
Rot. Bonds1

About 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one

4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one (PubChem CID 72892217) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
PubChem CID72892217
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1Cc2ccccc2C1
InChIInChI=1S/C18H14N2O2/c21-17-9-15(14-7-3-4-8-16(14)19-17)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9H,10-11H2,(H,19,21)
InChIKeyLNDYCFGMUHWRQG-UHFFFAOYSA-N
XLogP2.68
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
CID 2394404
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1H-quinolin-2-one
CID 155963104
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403
(5aS,8aS)-5-methyl-7-(2-oxo-1H-quinoline-4-carbonyl)-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one
CID 155508788
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one (CID 72892217) is 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1Cc2ccccc2C1.
What is the InChIKey of 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one?
The InChIKey is LNDYCFGMUHWRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-9-15(14-7-3-4-8-16(14)19-17)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9H,10-11H2,(H,19,21).
What are the key properties of 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one?
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one has a molecular weight of 290.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 72892217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).