(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one

C20H23ClN4O — CID 40696747

IUPAC(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@@H](C)C2
InChIInChI=1S/C20H23ClN4O/c1-13-10-17-19(18(26)11-13)14(2)22-20(23-17)25-8-6-24(7-9-25)16-5-3-4-15(21)12-16/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyKYZMSEBKGYDPHY-ZDUSSCGKSA-N
MW370.88 g/mol
LogP3.53
Rot. Bonds2

About (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one

(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 40696747) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID40696747
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@@H](C)C2
InChIInChI=1S/C20H23ClN4O/c1-13-10-17-19(18(26)11-13)14(2)22-20(23-17)25-8-6-24(7-9-25)16-5-3-4-15(21)12-16/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyKYZMSEBKGYDPHY-ZDUSSCGKSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601684
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(furan-2-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168727
(7S)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629541
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 27261997
(7S)-7-(4-chlorophenyl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 27892827
ethyl 4-[4-(4-chloroanilino)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 43902807
ethyl 4-[(7R)-7-(4-chlorophenyl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 41353068
2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
CID 22948964
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
(7S)-7-(2-fluorophenyl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29109563

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 40696747) is (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)C[C@@H](C)C2.
What is the InChIKey of (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is KYZMSEBKGYDPHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-13-10-17-19(18(26)11-13)14(2)22-20(23-17)25-8-6-24(7-9-25)16-5-3-4-15(21)12-16/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one?
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 370.88 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 40696747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).