7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile

C22H24N4O — CID 24777318

IUPAC7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cc(C#N)c(N3CCN(c4ccccc4)CC3)nc2C1
InChIInChI=1S/C22H24N4O/c1-22(2)13-19-18(20(27)14-22)12-16(15-23)21(24-19)26-10-8-25(9-11-26)17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyYHUCTKBLMNLCQH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.43
Rot. Bonds2

About 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile

7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile (PubChem CID 24777318) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
PubChem CID24777318
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cc(C#N)c(N3CCN(c4ccccc4)CC3)nc2C1
InChIInChI=1S/C22H24N4O/c1-22(2)13-19-18(20(27)14-22)12-16(15-23)21(24-19)26-10-8-25(9-11-26)17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyYHUCTKBLMNLCQH-UHFFFAOYSA-N
XLogP3.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile with MolForge

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Related Compounds

[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
1,3-dimethyl-8-phenyl-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891701
2-(4-Benzoyl-piperazin-1-yl)-7-methyl-quinoline-3-carbonitrile
CID 24747107
1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988460
1-(4-fluorobenzyl)-7-methyl-3-(4-methylbenzoyl)[1,8]naphthyridin-4(1H)-one
CID 15988482
7-Methyl-3-(4-methylbenzoyl)-1-[(3-methylphenyl)methyl]-1,4-dihydro-1,8-naphthyridin-4-one
CID 15988522
2-Cyclopentylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 24777314
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 24777699
(6aR,7R,10aS)-4-(2-fluorophenyl)-7,10a-dimethyl-2-(4-methylpiperazin-1-yl)-8-oxo-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 135132057
2-(4-benzylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 666510
2-(4-benzylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 666977
4-methyl-7-phenyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 667234

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile (CID 24777318) is 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile is CC1(C)CC(=O)c2cc(C#N)c(N3CCN(c4ccccc4)CC3)nc2C1.
What is the InChIKey of 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
The InChIKey is YHUCTKBLMNLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2)13-19-18(20(27)14-22)12-16(15-23)21(24-19)26-10-8-25(9-11-26)17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile?
7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-oxo-2-(4-phenylpiperazin-1-yl)-6,8-dihydroquinoline-3-carbonitrile is sourced from PubChem (CID 24777318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).