2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide

C17H14ClN3O4S — CID 9355991

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1
InChIInChI=1S/C17H14ClN3O4S/c1-26(24,25)13-4-2-3-12(8-13)20-16(22)9-21-10-19-15-6-5-11(18)7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyVCJZRSGHRLPUBY-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.09
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 9355991) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID9355991
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1
InChIInChI=1S/C17H14ClN3O4S/c1-26(24,25)13-4-2-3-12(8-13)20-16(22)9-21-10-19-15-6-5-11(18)7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyVCJZRSGHRLPUBY-UHFFFAOYSA-N
XLogP2.09
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55733302
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8005577
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 30763519
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide (CID 9355991) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is VCJZRSGHRLPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-26(24,25)13-4-2-3-12(8-13)20-16(22)9-21-10-19-15-6-5-11(18)7-14(15)17(21)23/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 391.84 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9355991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).