7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C22H16N4OS — CID 10385340

IUPAC7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(-c3ccccc3)ccc2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C22H16N4OS/c27-22-24-19-12-17(15-4-2-1-3-5-15)6-7-18(19)13-26(22)20-14-28-21(25-20)16-8-10-23-11-9-16/h1-12,14H,13H2,(H,24,27)
InChIKeyVWGOHAYTCAXWHE-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.42
Rot. Bonds3

About 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 10385340) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID10385340
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC Name7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(-c3ccccc3)ccc2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C22H16N4OS/c27-22-24-19-12-17(15-4-2-1-3-5-15)6-7-18(19)13-26(22)20-14-28-21(25-20)16-8-10-23-11-9-16/h1-12,14H,13H2,(H,24,27)
InChIKeyVWGOHAYTCAXWHE-UHFFFAOYSA-N
XLogP5.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-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 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 10385340) is 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is O=C1Nc2cc(-c3ccccc3)ccc2CN1c1csc(-c2ccncc2)n1.
What is the InChIKey of 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is VWGOHAYTCAXWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c27-22-24-19-12-17(15-4-2-1-3-5-15)6-7-18(19)13-26(22)20-14-28-21(25-20)16-8-10-23-11-9-16/h1-12,14H,13H2,(H,24,27).
What are the key properties of 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 384.46 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10385340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).