2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one

C19H21N3O — CID 24777698

IUPAC2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C19H21N3O/c23-18-8-4-7-17-16(18)9-10-19(20-17)22-13-11-21(12-14-22)15-5-2-1-3-6-15/h1-3,5-6,9-10H,4,7-8,11-14H2
InChIKeyNFCRALCGQNZQSY-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.93
Rot. Bonds2

About 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one

2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 24777698) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID24777698
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C19H21N3O/c23-18-8-4-7-17-16(18)9-10-19(20-17)22-13-11-21(12-14-22)15-5-2-1-3-6-15/h1-3,5-6,9-10H,4,7-8,11-14H2
InChIKeyNFCRALCGQNZQSY-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
1-(4-{8-[butyl(ethyl)amino]-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylphenyl)ethan-1-one
CID 24768344
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one (CID 24777698) is 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is NFCRALCGQNZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18-8-4-7-17-16(18)9-10-19(20-17)22-13-11-21(12-14-22)15-5-2-1-3-6-15/h1-3,5-6,9-10H,4,7-8,11-14H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one?
2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 307.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 24777698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).