8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one

C18H18ClN3O — CID 10268304

IUPAC8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
SMILESO=C1Nc2c(Cl)cc(-c3ccccn3)cc2C2(CCCCC2)N1
InChIInChI=1S/C18H18ClN3O/c19-14-11-12(15-6-2-5-9-20-15)10-13-16(14)21-17(23)22-18(13)7-3-1-4-8-18/h2,5-6,9-11H,1,3-4,7-8H2,(H2,21,22,23)
InChIKeyYLAZOYMBIIKPOA-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.70
Rot. Bonds1

About 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one

8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one (PubChem CID 10268304) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
PubChem CID10268304
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
SMILESO=C1Nc2c(Cl)cc(-c3ccccn3)cc2C2(CCCCC2)N1
InChIInChI=1S/C18H18ClN3O/c19-14-11-12(15-6-2-5-9-20-15)10-13-16(14)21-17(23)22-18(13)7-3-1-4-8-18/h2,5-6,9-11H,1,3-4,7-8H2,(H2,21,22,23)
InChIKeyYLAZOYMBIIKPOA-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-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 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one?
The IUPAC name of 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one (CID 10268304) is 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one.
What is the SMILES notation for 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one?
The canonical SMILES for 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one is O=C1Nc2c(Cl)cc(-c3ccccn3)cc2C2(CCCCC2)N1.
What is the InChIKey of 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one?
The InChIKey is YLAZOYMBIIKPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-14-11-12(15-6-2-5-9-20-15)10-13-16(14)21-17(23)22-18(13)7-3-1-4-8-18/h2,5-6,9-11H,1,3-4,7-8H2,(H2,21,22,23).
What are the key properties of 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one?
8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one has a molecular weight of 327.81 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-pyridin-2-ylspiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one is sourced from PubChem (CID 10268304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).