2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C16H13Cl2N3O2S — CID 16560939

IUPAC2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H13Cl2N3O2S/c1-20(7-11-3-2-4-24-11)14(22)8-21-9-19-15-12(16(21)23)5-10(17)6-13(15)18/h2-6,9H,7-8H2,1H3
InChIKeyCMJIOEKCOKNIIF-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.42
Rot. Bonds4

About 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16560939) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16560939
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H13Cl2N3O2S/c1-20(7-11-3-2-4-24-11)14(22)8-21-9-19-15-12(16(21)23)5-10(17)6-13(15)18/h2-6,9H,7-8H2,1H3
InChIKeyCMJIOEKCOKNIIF-UHFFFAOYSA-N
XLogP3.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 46821314
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 30759853
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 30238107
N-[(3-chlorophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27795386
2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 30327522
N-cyclopropyl-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17404805
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39061483

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 16560939) is 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CMJIOEKCOKNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-20(7-11-3-2-4-24-11)14(22)8-21-9-19-15-12(16(21)23)5-10(17)6-13(15)18/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 382.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).