5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C23H18N4OS — CID 21064920

IUPAC5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCc1cccc(-c2cccc3c2CN(c2csc(-c4ccncc4)n2)C(=O)N3)c1
InChIInChI=1S/C23H18N4OS/c1-15-4-2-5-17(12-15)18-6-3-7-20-19(18)13-27(23(28)25-20)21-14-29-22(26-21)16-8-10-24-11-9-16/h2-12,14H,13H2,1H3,(H,25,28)
InChIKeyAMIFMXLVOSFJKC-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.73
Rot. Bonds3

About 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 21064920) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID21064920
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCc1cccc(-c2cccc3c2CN(c2csc(-c4ccncc4)n2)C(=O)N3)c1
InChIInChI=1S/C23H18N4OS/c1-15-4-2-5-17(12-15)18-6-3-7-20-19(18)13-27(23(28)25-20)21-14-29-22(26-21)16-8-10-24-11-9-16/h2-12,14H,13H2,1H3,(H,25,28)
InChIKeyAMIFMXLVOSFJKC-UHFFFAOYSA-N
XLogP5.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 21064920) is 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is Cc1cccc(-c2cccc3c2CN(c2csc(-c4ccncc4)n2)C(=O)N3)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is AMIFMXLVOSFJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-15-4-2-5-17(12-15)18-6-3-7-20-19(18)13-27(23(28)25-20)21-14-29-22(26-21)16-8-10-24-11-9-16/h2-12,14H,13H2,1H3,(H,25,28).
What are the key properties of 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 398.49 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 21064920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).