[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate

C24H20N2O3 — CID 6620611

IUPAC[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H20N2O3/c1-15-7-6-8-18(13-15)22-25-21-10-5-4-9-20(21)23(27)26(22)29-24(28)19-12-11-16(2)17(3)14-19/h4-14H,1-3H3
InChIKeyVMQDVTVQVQWRIJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.26
Rot. Bonds3

About [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate

[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate (PubChem CID 6620611) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
PubChem CID6620611
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
SMILESCc1cccc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C24H20N2O3/c1-15-7-6-8-18(13-15)22-25-21-10-5-4-9-20(21)23(27)26(22)29-24(28)19-12-11-16(2)17(3)14-19/h4-14H,1-3H3
InChIKeyVMQDVTVQVQWRIJ-UHFFFAOYSA-N
XLogP4.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate 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

[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
CID 118737735
(4-oxo-2-phenylquinazolin-3-yl) 3-methylbenzoate
CID 118737680
[2-(4-tert-butylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate
CID 23768248
[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl] 2,4,5-trimethylbenzoate
CID 6737786
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate
CID 6737947
N,N-diethyl-2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]acetamide
CID 4079953
[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate
CID 46498300
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
CID 23989138
[2-[[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-nitrobenzoate
CID 126130782

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate?
The IUPAC name of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate (CID 6620611) is [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate is Cc1cccc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate?
The InChIKey is VMQDVTVQVQWRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-15-7-6-8-18(13-15)22-25-21-10-5-4-9-20(21)23(27)26(22)29-24(28)19-12-11-16(2)17(3)14-19/h4-14H,1-3H3.
What are the key properties of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate?
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate has a molecular weight of 384.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 3,4-dimethylbenzoate is sourced from PubChem (CID 6620611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).