6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one

C15H17ClN2O — CID 2797226

IUPAC6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccc(Cl)cc2C(=O)NC1C1CC=CCC1
InChIInChI=1S/C15H17ClN2O/c1-18-13-8-7-11(16)9-12(13)15(19)17-14(18)10-5-3-2-4-6-10/h2-3,7-10,14H,4-6H2,1H3,(H,17,19)
InChIKeyPMOKHJAPDZULAY-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.20
Rot. Bonds1

About 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one

6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 2797226) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID2797226
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccc(Cl)cc2C(=O)NC1C1CC=CCC1
InChIInChI=1S/C15H17ClN2O/c1-18-13-8-7-11(16)9-12(13)15(19)17-14(18)10-5-3-2-4-6-10/h2-3,7-10,14H,4-6H2,1H3,(H,17,19)
InChIKeyPMOKHJAPDZULAY-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one (CID 2797226) is 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one is CN1c2ccc(Cl)cc2C(=O)NC1C1CC=CCC1.
What is the InChIKey of 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is PMOKHJAPDZULAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18-13-8-7-11(16)9-12(13)15(19)17-14(18)10-5-3-2-4-6-10/h2-3,7-10,14H,4-6H2,1H3,(H,17,19).
What are the key properties of 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one?
6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 276.77 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclohex-3-en-1-yl-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 2797226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).