(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C24H26N5O+ — CID 7447113

IUPAC(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C24H25N5O/c1-17-23-20(15-19(16-21(23)30)18-7-3-2-4-8-18)27-24(26-17)29-13-11-28(12-14-29)22-9-5-6-10-25-22/h2-10,19H,11-16H2,1H3/p+1/t19-/m0/s1
InChIKeyNFSIPJQNYDOJMP-IBGZPJMESA-O
MW400.51 g/mol
LogP2.84
Rot. Bonds3

About (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7447113) has the molecular formula C24H26N5O+ and a molecular weight of 400.51 g/mol. Its IUPAC name is (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7447113
Molecular FormulaC24H26N5O+
Molecular Weight400.51 g/mol
Exact Mass400.21
IUPAC Name(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2
InChIInChI=1S/C24H25N5O/c1-17-23-20(15-19(16-21(23)30)18-7-3-2-4-8-18)27-24(26-17)29-13-11-28(12-14-29)22-9-5-6-10-25-22/h2-10,19H,11-16H2,1H3/p+1/t19-/m0/s1
InChIKeyNFSIPJQNYDOJMP-IBGZPJMESA-O
XLogP2.84
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-7-(4-chlorophenyl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 27892827
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
(7S)-7-(2-fluorophenyl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29109563
ethyl 4-[(7R)-7-(4-chlorophenyl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 41353068
(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160156
4-[(7S)-4-methyl-5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 7601708
(7S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41455625
4-[7-(furan-2-yl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 4873963
1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
CID 25249544
(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160164
(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961693

Frequently Asked Questions

What is the IUPAC name of (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 7447113) is (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2.
What is the InChIKey of (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is NFSIPJQNYDOJMP-IBGZPJMESA-O. The full InChI is InChI=1S/C24H25N5O/c1-17-23-20(15-19(16-21(23)30)18-7-3-2-4-8-18)27-24(26-17)29-13-11-28(12-14-29)22-9-5-6-10-25-22/h2-10,19H,11-16H2,1H3/p+1/t19-/m0/s1.
What are the key properties of (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 400.51 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7447113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).