3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

C18H18N2O3 — CID 126824521

IUPAC3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c21-16-7-3-5-14-12(16)10-13(17(22)19-14)18(23)20-9-8-11-4-1-2-6-15(11)20/h1-2,4,6,10,16,21H,3,5,7-9H2,(H,19,22)
InChIKeyJJIIMDXLSPSUME-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.95
Rot. Bonds1

About 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 126824521) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID126824521
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCCC2O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c21-16-7-3-5-14-12(16)10-13(17(22)19-14)18(23)20-9-8-11-4-1-2-6-15(11)20/h1-2,4,6,10,16,21H,3,5,7-9H2,(H,19,22)
InChIKeyJJIIMDXLSPSUME-UHFFFAOYSA-N
XLogP1.95
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-hydroxy-3-[2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 154852522
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 134031545
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114337443
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 128983493
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
3-[(3S,4R)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 163312594
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 126824521) is 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=C(c1cc2c([nH]c1=O)CCCC2O)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is JJIIMDXLSPSUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16-7-3-5-14-12(16)10-13(17(22)19-14)18(23)20-9-8-11-4-1-2-6-15(11)20/h1-2,4,6,10,16,21H,3,5,7-9H2,(H,19,22).
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-5-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 126824521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).