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

C13H14ClN3O2S — CID 2488402

IUPAC2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(N)=O)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C13H14ClN3O2S/c1-2-5-17-12(19)9-4-3-8(14)6-10(9)16-13(17)20-7-11(15)18/h3-4,6H,2,5,7H2,1H3,(H2,15,18)
InChIKeyYOOUHKIRJYXTDP-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.04
Rot. Bonds5

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

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide (PubChem CID 2488402) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
PubChem CID2488402
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(N)=O)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C13H14ClN3O2S/c1-2-5-17-12(19)9-4-3-8(14)6-10(9)16-13(17)20-7-11(15)18/h3-4,6H,2,5,7H2,1H3,(H2,15,18)
InChIKeyYOOUHKIRJYXTDP-UHFFFAOYSA-N
XLogP2.04
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 2488439
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2488319
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-ethyl-N-phenylacetamide
CID 7738199
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 112777902
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16510406
N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
CID 7797003
7-chloro-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 7738120

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide (CID 2488402) is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide is CCCn1c(SCC(N)=O)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is YOOUHKIRJYXTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-2-5-17-12(19)9-4-3-8(14)6-10(9)16-13(17)20-7-11(15)18/h3-4,6H,2,5,7H2,1H3,(H2,15,18).
What are the key properties of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide?
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 311.79 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2488402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).