7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one

C17H15ClN2OS — CID 139721579

IUPAC7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one
SMILESCCSc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1
InChIInChI=1S/C17H15ClN2OS/c1-3-22-13-7-4-11(5-8-13)16-19-15-10-12(18)6-9-14(15)17(21)20(16)2/h4-10H,3H2,1-2H3
InChIKeyHAOWMADZXYIFQH-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.37
Rot. Bonds3

About 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one

7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one (PubChem CID 139721579) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one
PubChem CID139721579
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one
SMILESCCSc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1
InChIInChI=1S/C17H15ClN2OS/c1-3-22-13-7-4-11(5-8-13)16-19-15-10-12(18)6-9-14(15)17(21)20(16)2/h4-10H,3H2,1-2H3
InChIKeyHAOWMADZXYIFQH-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide
CID 139721575
2-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174444
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
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7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
7-chloro-2-(diethoxyphosphorylmethyl)-3-methylquinazolin-4-one
CID 139749536
6-chloro-3-methyl-2-[4-(3-methyloxiran-2-yl)oxyphenyl]quinazolin-4-one
CID 20504702
6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484661
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
7-chloro-3-(4-methylphenyl)quinazolin-4-one
CID 11334739

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one?
The IUPAC name of 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one (CID 139721579) is 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one is CCSc1ccc(-c2nc3cc(Cl)ccc3c(=O)n2C)cc1.
What is the InChIKey of 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one?
The InChIKey is HAOWMADZXYIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-3-22-13-7-4-11(5-8-13)16-19-15-10-12(18)6-9-14(15)17(21)20(16)2/h4-10H,3H2,1-2H3.
What are the key properties of 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one?
7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one has a molecular weight of 330.84 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-ethylsulfanylphenyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 139721579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).