2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide

C16H16ClN3O2 — CID 53499149

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1=CCCC1
InChIInChI=1S/C16H16ClN3O2/c1-19(12-4-2-3-5-12)15(21)9-20-10-18-14-7-6-11(17)8-13(14)16(20)22/h4,6-8,10H,2-3,5,9H2,1H3
InChIKeyVSGWEDWJSAPISW-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.58
Rot. Bonds3

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 53499149) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID53499149
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1=CCCC1
InChIInChI=1S/C16H16ClN3O2/c1-19(12-4-2-3-5-12)15(21)9-20-10-18-14-7-6-11(17)8-13(14)16(20)22/h4,6-8,10H,2-3,5,9H2,1H3
InChIKeyVSGWEDWJSAPISW-UHFFFAOYSA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide (CID 53499149) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1=CCCC1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is VSGWEDWJSAPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-19(12-4-2-3-5-12)15(21)9-20-10-18-14-7-6-11(17)8-13(14)16(20)22/h4,6-8,10H,2-3,5,9H2,1H3.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 317.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 53499149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).