2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

C19H17ClN2OS — CID 1418230

IUPAC2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
SMILESC/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-7-9-15(10-8-13)22-18(23)16-5-3-4-6-17(16)21-19(22)24-12-11-14(2)20/h3-11H,12H2,1-2H3/b14-11-
InChIKeyPYXCTYZMBQDXCZ-KAMYIIQDSA-N
MW356.88 g/mol
LogP4.93
Rot. Bonds4

About 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 1418230) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
PubChem CID1418230
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
SMILESC/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-7-9-15(10-8-13)22-18(23)16-5-3-4-6-17(16)21-19(22)24-12-11-14(2)20/h3-11H,12H2,1-2H3/b14-11-
InChIKeyPYXCTYZMBQDXCZ-KAMYIIQDSA-N
XLogP4.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-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

2-(2-chloroprop-2-enylsulfanyl)-3-(4-methylphenyl)quinazolin-4-one
CID 8871503
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-3-phenylquinazolin-4-one
CID 14575154
trimethyl-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium
CID 1283471
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1272963
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
3-(4-chlorophenyl)-2-prop-2-enylsulfanylquinazolin-4-one
CID 8007787
N-ethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 2423267
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
4-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile
CID 7437989
2-[[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide
CID 9491410

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one (CID 1418230) is 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one is C/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is PYXCTYZMBQDXCZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-13-7-9-15(10-8-13)22-18(23)16-5-3-4-6-17(16)21-19(22)24-12-11-14(2)20/h3-11H,12H2,1-2H3/b14-11-.
What are the key properties of 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one?
2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 356.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 1418230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).