2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

C18H20ClN3O2 — CID 8607699

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1=CCCCC1
InChIInChI=1S/C18H20ClN3O2/c1-2-22(14-6-4-3-5-7-14)17(23)11-21-12-20-16-9-8-13(19)10-15(16)18(21)24/h6,8-10,12H,2-5,7,11H2,1H3
InChIKeyMRNDUIMZEBCMPC-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.36
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 8607699) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID8607699
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1=CCCCC1
InChIInChI=1S/C18H20ClN3O2/c1-2-22(14-6-4-3-5-7-14)17(23)11-21-12-20-16-9-8-13(19)10-15(16)18(21)24/h6,8-10,12H,2-5,7,11H2,1H3
InChIKeyMRNDUIMZEBCMPC-UHFFFAOYSA-N
XLogP3.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 18101501
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 53499149
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 8522457
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethylacetamide
CID 8565140
ethyl 3-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652933
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
N-(cyclohexen-1-yl)-N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18127614

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 8607699) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1=CCCCC1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is MRNDUIMZEBCMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-22(14-6-4-3-5-7-14)17(23)11-21-12-20-16-9-8-13(19)10-15(16)18(21)24/h6,8-10,12H,2-5,7,11H2,1H3.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 345.83 g/mol, XLogP of 3.36, 4 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-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 8607699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).