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

C25H26N4O — CID 28629651

IUPAC(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1
InChIInChI=1S/C25H26N4O/c1-18-7-5-6-10-21(18)19-15-23-22(24(30)16-19)17-26-25(27-23)29-13-11-28(12-14-29)20-8-3-2-4-9-20/h2-10,17,19H,11-16H2,1H3/t19-/m0/s1
InChIKeyMMCIMBOYDXUDJZ-IBGZPJMESA-N
MW398.51 g/mol
LogP4.02
Rot. Bonds3

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

(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 28629651) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID28629651
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1
InChIInChI=1S/C25H26N4O/c1-18-7-5-6-10-21(18)19-15-23-22(24(30)16-19)17-26-25(27-23)29-13-11-28(12-14-29)20-8-3-2-4-9-20/h2-10,17,19H,11-16H2,1H3/t19-/m0/s1
InChIKeyMMCIMBOYDXUDJZ-IBGZPJMESA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386820
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746
(7R)-7-(3,5-difluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629706
(7R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-7-(2-hydroxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41026673
7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584968
2-[4-(2-methylbenzoyl)piperazin-1-yl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 155753361
(7S)-7-(2-hydroxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7445324
(7S)-7-(2,4-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 40900113
(7S)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386657
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(7S)-7-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 28629708
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 16566970

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 28629651) is (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1.
What is the InChIKey of (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is MMCIMBOYDXUDJZ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-7-5-6-10-21(18)19-15-23-22(24(30)16-19)17-26-25(27-23)29-13-11-28(12-14-29)20-8-3-2-4-9-20/h2-10,17,19H,11-16H2,1H3/t19-/m0/s1.
What are the key properties of (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 398.51 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 28629651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).