3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one

C19H20ClN3OS — CID 3950432

IUPAC3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one
SMILESCC(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C19H20ClN3OS/c1-13(22(2)3)12-25-19-21-17-7-5-4-6-16(17)18(24)23(19)15-10-8-14(20)9-11-15/h4-11,13H,12H2,1-3H3
InChIKeyGITPWLWBSBMIGW-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.08
Rot. Bonds5

About 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one

3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one (PubChem CID 3950432) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one
PubChem CID3950432
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one
SMILESCC(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C19H20ClN3OS/c1-13(22(2)3)12-25-19-21-17-7-5-4-6-16(17)18(24)23(19)15-10-8-14(20)9-11-15/h4-11,13H,12H2,1-3H3
InChIKeyGITPWLWBSBMIGW-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
1-(3-Chlorophenyl)quinazolin-4(1H)-one
CID 901934
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
3-(4-chlorophenyl)quinazolin-4(3H)-one
CID 328621
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
3-(4-Chlorophenyl)-2-methyl-4(3H)-quinazolinone
CID 63340
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035
3-(4-Chlorophenyl)-2-((4-nitrobenzyl)thio)-4(3H)-quinazolinone
CID 1636836
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
2-[2-(Azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2456205

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one (CID 3950432) is 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one is CC(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C)C.
What is the InChIKey of 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one?
The InChIKey is GITPWLWBSBMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-13(22(2)3)12-25-19-21-17-7-5-4-6-16(17)18(24)23(19)15-10-8-14(20)9-11-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one has a molecular weight of 373.91 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[2-(dimethylamino)propylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 3950432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).