2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

C19H21ClN4O2S — CID 7428048

IUPAC2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESCC(C)n1c(SCC(=O)NC2(C#N)CCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H21ClN4O2S/c1-12(2)24-17(26)14-6-5-13(20)9-15(14)22-18(24)27-10-16(25)23-19(11-21)7-3-4-8-19/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,23,25)
InChIKeyJLPJBEXCJQQKEL-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.68
Rot. Bonds5

About 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide

2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (PubChem CID 7428048) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
PubChem CID7428048
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
SMILESCC(C)n1c(SCC(=O)NC2(C#N)CCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H21ClN4O2S/c1-12(2)24-17(26)14-6-5-13(20)9-15(14)22-18(24)27-10-16(25)23-19(11-21)7-3-4-8-19/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,23,25)
InChIKeyJLPJBEXCJQQKEL-UHFFFAOYSA-N
XLogP3.68
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide with MolForge

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Related Compounds

2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 42980258
2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 31178430
N-tert-butyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624649
N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16569833
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 4822981
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4819556
7-chloro-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 7427979
N-(1-cyanocyclohexyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4819488
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 4819559
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039876
N-(1-cyanocyclopentyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41408654
(2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-cyclohexylpropanamide
CID 7428000

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide (CID 7428048) is 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is CC(C)n1c(SCC(=O)NC2(C#N)CCCC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is JLPJBEXCJQQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-12(2)24-17(26)14-6-5-13(20)9-15(14)22-18(24)27-10-16(25)23-19(11-21)7-3-4-8-19/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,23,25).
What are the key properties of 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide?
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 404.92 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 7428048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).