1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one

C24H27N3O2 — CID 110383937

IUPAC1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21
InChIInChI=1S/C24H27N3O2/c1-25-22-11-9-21(18-20(22)10-12-23(25)28)24(29)27-16-14-26(15-17-27)13-5-8-19-6-3-2-4-7-19/h2-9,11,18H,10,12-17H2,1H3/b8-5+
InChIKeyAYZQTWXQZJWKLI-VMPITWQZSA-N
MW389.50 g/mol
LogP3.07
Rot. Bonds4

About 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one (PubChem CID 110383937) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
PubChem CID110383937
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21
InChIInChI=1S/C24H27N3O2/c1-25-22-11-9-21(18-20(22)10-12-23(25)28)24(29)27-16-14-26(15-17-27)13-5-8-19-6-3-2-4-7-19/h2-9,11,18H,10,12-17H2,1H3/b8-5+
InChIKeyAYZQTWXQZJWKLI-VMPITWQZSA-N
XLogP3.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
6-[4-(3,3-dimethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110803968
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110801759
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one (CID 110383937) is 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one?
The InChIKey is AYZQTWXQZJWKLI-VMPITWQZSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-25-22-11-9-21(18-20(22)10-12-23(25)28)24(29)27-16-14-26(15-17-27)13-5-8-19-6-3-2-4-7-19/h2-9,11,18H,10,12-17H2,1H3/b8-5+.
What are the key properties of 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one has a molecular weight of 389.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 110383937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).