3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

C23H27N3O — CID 70510730

IUPAC3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(CC=CC3Cc4ccccc4NC3=O)CC2)c1
InChIInChI=1S/C23H27N3O/c1-18-6-4-9-21(16-18)26-14-12-25(13-15-26)11-5-8-20-17-19-7-2-3-10-22(19)24-23(20)27/h2-10,16,20H,11-15,17H2,1H3,(H,24,27)
InChIKeyCBVOFLGPNZTONZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.48
Rot. Bonds4

About 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one

3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70510730) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID70510730
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(CC=CC3Cc4ccccc4NC3=O)CC2)c1
InChIInChI=1S/C23H27N3O/c1-18-6-4-9-21(16-18)26-14-12-25(13-15-26)11-5-8-20-17-19-7-2-3-10-22(19)24-23(20)27/h2-10,16,20H,11-15,17H2,1H3,(H,24,27)
InChIKeyCBVOFLGPNZTONZ-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorobut-2-enyl)-4-(3-methylphenyl)piperazine
CID 77051231
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236323
5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
CID 23048808
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029430
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
7-bromo-5-(2-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 600077
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 136562048
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one (CID 70510730) is 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cccc(N2CCN(CC=CC3Cc4ccccc4NC3=O)CC2)c1.
What is the InChIKey of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CBVOFLGPNZTONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-6-4-9-21(16-18)26-14-12-25(13-15-26)11-5-8-20-17-19-7-2-3-10-22(19)24-23(20)27/h2-10,16,20H,11-15,17H2,1H3,(H,24,27).
What are the key properties of 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 361.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70510730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).