6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

C15H13ClN2O2S — CID 103400467

IUPAC6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCc1csc(C(=O)c2ccc3c(c2)CN(C)C(=O)N3)c1Cl
InChIInChI=1S/C15H13ClN2O2S/c1-8-7-21-14(12(8)16)13(19)9-3-4-11-10(5-9)6-18(2)15(20)17-11/h3-5,7H,6H2,1-2H3,(H,17,20)
InChIKeyVXCRBCZAYBOTTF-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.92
Rot. Bonds2

About 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 103400467) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID103400467
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCc1csc(C(=O)c2ccc3c(c2)CN(C)C(=O)N3)c1Cl
InChIInChI=1S/C15H13ClN2O2S/c1-8-7-21-14(12(8)16)13(19)9-3-4-11-10(5-9)6-18(2)15(20)17-11/h3-5,7H,6H2,1-2H3,(H,17,20)
InChIKeyVXCRBCZAYBOTTF-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-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

Related Compounds

6-(4-bromobenzoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82005965
5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 103400340
6-(4-chlorobutanoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 105400924
6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006405
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one
CID 138535555
6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006893
3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one
CID 82010256
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
6-(2-cyclobutylacetyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103162574
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 103400467) is 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is Cc1csc(C(=O)c2ccc3c(c2)CN(C)C(=O)N3)c1Cl.
What is the InChIKey of 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is VXCRBCZAYBOTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-8-7-21-14(12(8)16)13(19)9-3-4-11-10(5-9)6-18(2)15(20)17-11/h3-5,7H,6H2,1-2H3,(H,17,20).
What are the key properties of 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 320.80 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 103400467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).