N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

C17H22ClN3O2S — CID 7738113

IUPACN-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC
InChIInChI=1S/C17H22ClN3O2S/c1-3-5-8-19-15(22)11-24-17-20-14-10-12(18)6-7-13(14)16(23)21(17)9-4-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,22)
InChIKeyCVFWDKSDKGXFPZ-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.47
Rot. Bonds8

About N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide

N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide (PubChem CID 7738113) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
PubChem CID7738113
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC
InChIInChI=1S/C17H22ClN3O2S/c1-3-5-8-19-15(22)11-24-17-20-14-10-12(18)6-7-13(14)16(23)21(17)9-4-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,22)
InChIKeyCVFWDKSDKGXFPZ-UHFFFAOYSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
N-(butylcarbamoyl)-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 27361380
2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9458202
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
N-butyl-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7691661
N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
CID 7797003
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 16510383
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16510406
ethyl 4-[[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate
CID 55322443
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 2488439
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide (CID 7738113) is N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide is CCCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC.
What is the InChIKey of N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is CVFWDKSDKGXFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-3-5-8-19-15(22)11-24-17-20-14-10-12(18)6-7-13(14)16(23)21(17)9-4-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 367.90 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 7738113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).