3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C25H27N3O2 — CID 24609034

IUPAC3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H27N3O2/c29-24(10-9-19-15-18-5-1-3-7-22(18)27-25(19)30)28-13-11-17(12-14-28)21-16-26-23-8-4-2-6-20(21)23/h1-8,16-17,19,26H,9-15H2,(H,27,30)
InChIKeyJGEDLNFFOUNBAD-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.47
Rot. Bonds4

About 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 24609034) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID24609034
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H27N3O2/c29-24(10-9-19-15-18-5-1-3-7-22(18)27-25(19)30)28-13-11-17(12-14-28)21-16-26-23-8-4-2-6-20(21)23/h1-8,16-17,19,26H,9-15H2,(H,27,30)
InChIKeyJGEDLNFFOUNBAD-UHFFFAOYSA-N
XLogP4.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 56817723
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 55910561
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 25477633
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 119632117
3-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 47048605
(3S)-3-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903723

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 24609034) is 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JGEDLNFFOUNBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-24(10-9-19-15-18-5-1-3-7-22(18)27-25(19)30)28-13-11-17(12-14-28)21-16-26-23-8-4-2-6-20(21)23/h1-8,16-17,19,26H,9-15H2,(H,27,30).
What are the key properties of 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 24609034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).