N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C19H18ClN3O2S — CID 55752307

IUPACN-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCc1ccc2nc(SC(C)C(=O)Nc3ccccc3Cl)n(C)c(=O)c2c1
InChIInChI=1S/C19H18ClN3O2S/c1-11-8-9-15-13(10-11)18(25)23(3)19(22-15)26-12(2)17(24)21-16-7-5-4-6-14(16)20/h4-10,12H,1-3H3,(H,21,24)
InChIKeyCYRIJLDEDQNYHN-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.01
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 55752307) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID55752307
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCc1ccc2nc(SC(C)C(=O)Nc3ccccc3Cl)n(C)c(=O)c2c1
InChIInChI=1S/C19H18ClN3O2S/c1-11-8-9-15-13(10-11)18(25)23(3)19(22-15)26-12(2)17(24)21-16-7-5-4-6-14(16)20/h4-10,12H,1-3H3,(H,21,24)
InChIKeyCYRIJLDEDQNYHN-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 86997528
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 55752339
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 5039601
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide
CID 55752703
N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide
CID 70811207
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51327601
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
CID 46484530
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 46618063

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 55752307) is N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is Cc1ccc2nc(SC(C)C(=O)Nc3ccccc3Cl)n(C)c(=O)c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is CYRIJLDEDQNYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-11-8-9-15-13(10-11)18(25)23(3)19(22-15)26-12(2)17(24)21-16-7-5-4-6-14(16)20/h4-10,12H,1-3H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 387.89 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 55752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).