2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C15H16ClN3O4S — CID 8536612

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCS(=O)(=O)C1
InChIInChI=1S/C15H16ClN3O4S/c1-15(4-5-24(22,23)8-15)18-13(20)7-19-9-17-12-3-2-10(16)6-11(12)14(19)21/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyCXHNPDSBMJGXJU-OAHLLOKOSA-N
MW369.83 g/mol
LogP0.74
Rot. Bonds3

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 8536612) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID8536612
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCS(=O)(=O)C1
InChIInChI=1S/C15H16ClN3O4S/c1-15(4-5-24(22,23)8-15)18-13(20)7-19-9-17-12-3-2-10(16)6-11(12)14(19)21/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyCXHNPDSBMJGXJU-OAHLLOKOSA-N
XLogP0.74
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 95284133
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 8536831
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 8536612) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)CCS(=O)(=O)C1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is CXHNPDSBMJGXJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c1-15(4-5-24(22,23)8-15)18-13(20)7-19-9-17-12-3-2-10(16)6-11(12)14(19)21/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 369.83 g/mol, XLogP of 0.74, 3 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-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 8536612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).