2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide

C15H18ClN3O2S — CID 2488330

IUPAC2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
SMILESCCCn1c(SCC(=O)NCC)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H18ClN3O2S/c1-3-7-19-14(21)11-6-5-10(16)8-12(11)18-15(19)22-9-13(20)17-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyOHVBMPMZDIVJIM-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.69
Rot. Bonds6

About 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide (PubChem CID 2488330) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
PubChem CID2488330
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
SMILESCCCn1c(SCC(=O)NCC)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C15H18ClN3O2S/c1-3-7-19-14(21)11-6-5-10(16)8-12(11)18-15(19)22-9-13(20)17-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyOHVBMPMZDIVJIM-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
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-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9458202
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
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16510406
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2488319
N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
CID 7797003
methyl 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 2488443
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide (CID 2488330) is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide is CCCn1c(SCC(=O)NCC)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide?
The InChIKey is OHVBMPMZDIVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-3-7-19-14(21)11-6-5-10(16)8-12(11)18-15(19)22-9-13(20)17-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide?
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide has a molecular weight of 339.85 g/mol, XLogP of 2.69, 6 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)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 2488330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).