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

C24H29N3O2 — CID 43044253

IUPAC3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(12-11-21-17-20-9-4-5-10-22(20)25-24(21)29)27-14-6-13-26(15-16-27)18-19-7-2-1-3-8-19/h1-5,7-10,21H,6,11-18H2,(H,25,29)
InChIKeyPDDPIMIINBYEEA-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.31
Rot. Bonds5

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

3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43044253) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43044253
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCC(=O)N1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(12-11-21-17-20-9-4-5-10-22(20)25-24(21)29)27-14-6-13-26(15-16-27)18-19-7-2-1-3-8-19/h1-5,7-10,21H,6,11-18H2,(H,25,29)
InChIKeyPDDPIMIINBYEEA-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18134099
3-[3-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 112808872
3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 56817723
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
3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 18146034
N-(3-fluorophenyl)-2-[4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]piperazin-1-yl]acetamide
CID 26029365
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694625

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 43044253) is 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1CCC(=O)N1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PDDPIMIINBYEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(12-11-21-17-20-9-4-5-10-22(20)25-24(21)29)27-14-6-13-26(15-16-27)18-19-7-2-1-3-8-19/h1-5,7-10,21H,6,11-18H2,(H,25,29).
What are the key properties of 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 391.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43044253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).