2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide

C19H25ClN4O3S — CID 9458202

IUPAC2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC
InChIInChI=1S/C19H25ClN4O3S/c1-4-8-21-16(25)11-23(3)17(26)12-28-19-22-15-10-13(20)6-7-14(15)18(27)24(19)9-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyRLWSYYDWGMWNCF-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.54
Rot. Bonds9

About 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide

2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide (PubChem CID 9458202) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
PubChem CID9458202
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC
InChIInChI=1S/C19H25ClN4O3S/c1-4-8-21-16(25)11-23(3)17(26)12-28-19-22-15-10-13(20)6-7-14(15)18(27)24(19)9-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyRLWSYYDWGMWNCF-UHFFFAOYSA-N
XLogP2.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)sulfanyl-N-ethylacetamide
CID 2488330
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
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-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 2488439
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 16510383
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 31458869
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2488319

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide (CID 9458202) is 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1CCC.
What is the InChIKey of 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The InChIKey is RLWSYYDWGMWNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-4-8-21-16(25)11-23(3)17(26)12-28-19-22-15-10-13(20)6-7-14(15)18(27)24(19)9-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide has a molecular weight of 424.95 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9458202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).