4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide

C20H19ClN4O3S — CID 2488439

IUPAC4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H19ClN4O3S/c1-2-9-25-19(28)15-8-5-13(21)10-16(15)24-20(25)29-11-17(26)23-14-6-3-12(4-7-14)18(22)27/h3-8,10H,2,9,11H2,1H3,(H2,22,27)(H,23,26)
InChIKeyGNSGCPBCSPXAMU-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.29
Rot. Bonds7

About 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide

4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 2488439) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID2488439
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H19ClN4O3S/c1-2-9-25-19(28)15-8-5-13(21)10-16(15)24-20(25)29-11-17(26)23-14-6-3-12(4-7-14)18(22)27/h3-8,10H,2,9,11H2,1H3,(H2,22,27)(H,23,26)
InChIKeyGNSGCPBCSPXAMU-UHFFFAOYSA-N
XLogP3.29
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide with MolForge

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Related Compounds

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 4004323
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2488319
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16510406
methyl 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 2488443
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 2389146
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 16504959

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide (CID 2488439) is 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide is CCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is GNSGCPBCSPXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-2-9-25-19(28)15-8-5-13(21)10-16(15)24-20(25)29-11-17(26)23-14-6-3-12(4-7-14)18(22)27/h3-8,10H,2,9,11H2,1H3,(H2,22,27)(H,23,26).
What are the key properties of 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide?
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 430.92 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 2488439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).