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

C20H17ClN4O2S — CID 7359666

IUPAC2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H17ClN4O2S/c1-2-9-25-19(27)15-8-7-14(21)10-17(15)24-20(25)28-12-18(26)23-16-6-4-3-5-13(16)11-22/h3-8,10H,2,9,12H2,1H3,(H,23,26)
InChIKeyKFTMFQGJAIELHL-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.06
Rot. Bonds6

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

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide (PubChem CID 7359666) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
PubChem CID7359666
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H17ClN4O2S/c1-2-9-25-19(27)15-8-7-14(21)10-17(15)24-20(25)28-12-18(26)23-16-6-4-3-5-13(16)11-22/h3-8,10H,2,9,12H2,1H3,(H,23,26)
InChIKeyKFTMFQGJAIELHL-UHFFFAOYSA-N
XLogP4.06
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(difluoromethylsulfanyl)phenyl]acetamide
CID 24593532
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-ethylacetamide
CID 2488330
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 2488439
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 29337574
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 16510406
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 16510383
N-(2-nitrophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329962

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide (CID 7359666) is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide is CCCn1c(SCC(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide?
The InChIKey is KFTMFQGJAIELHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-2-9-25-19(27)15-8-7-14(21)10-17(15)24-20(25)28-12-18(26)23-16-6-4-3-5-13(16)11-22/h3-8,10H,2,9,12H2,1H3,(H,23,26).
What are the key properties of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide?
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide has a molecular weight of 412.90 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 7359666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).