3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one

C19H20ClN3OS — CID 15707810

IUPAC3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one
SMILESCc1ccc(-n2c(SCCN(C)C)nc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C19H20ClN3OS/c1-13-8-9-14(12-16(13)20)23-18(24)15-6-4-5-7-17(15)21-19(23)25-11-10-22(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyYLTXLHXSQAGIEN-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.00
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one

3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one (PubChem CID 15707810) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one
PubChem CID15707810
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one
SMILESCc1ccc(-n2c(SCCN(C)C)nc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C19H20ClN3OS/c1-13-8-9-14(12-16(13)20)23-18(24)15-6-4-5-7-17(15)21-19(23)25-11-10-22(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyYLTXLHXSQAGIEN-UHFFFAOYSA-N
XLogP4.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]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

3-(3-chloro-4-methylphenyl)-2-prop-2-ynylsulfanylquinazolin-4-one
CID 2569838
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 23766704
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide
CID 2095376
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 23735409
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 23854365
3-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylsulfanyl)quinazolin-4-one
CID 27908748
3-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylsulfanyl)quinazolin-4-one
CID 27927500
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1304820
2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 17463835
3-(3-chloro-4-methylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one
CID 2451777
3-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-oxazolidin-2-one
CID 36515010
2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichlorophenyl)propanamide
CID 23820523

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one (CID 15707810) is 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one is Cc1ccc(-n2c(SCCN(C)C)nc3ccccc3c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one?
The InChIKey is YLTXLHXSQAGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-13-8-9-14(12-16(13)20)23-18(24)15-6-4-5-7-17(15)21-19(23)25-11-10-22(2)3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one?
3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one has a molecular weight of 373.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 15707810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).