4-chloro-6,6,7-trimethyl-5H-quinazoline

C11H13ClN2 — CID 87167476

IUPAC4-chloro-6,6,7-trimethyl-5H-quinazoline
SMILESCC1=Cc2ncnc(Cl)c2CC1(C)C
InChIInChI=1S/C11H13ClN2/c1-7-4-9-8(5-11(7,2)3)10(12)14-6-13-9/h4,6H,5H2,1-3H3
InChIKeyFZZUBQBESJQMHW-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.12
Rot. Bonds

About 4-chloro-6,6,7-trimethyl-5H-quinazoline

4-chloro-6,6,7-trimethyl-5H-quinazoline (PubChem CID 87167476) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-chloro-6,6,7-trimethyl-5H-quinazoline.

Molecular Properties

Compound Name4-chloro-6,6,7-trimethyl-5H-quinazoline
PubChem CID87167476
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name4-chloro-6,6,7-trimethyl-5H-quinazoline
SMILESCC1=Cc2ncnc(Cl)c2CC1(C)C
InChIInChI=1S/C11H13ClN2/c1-7-4-9-8(5-11(7,2)3)10(12)14-6-13-9/h4,6H,5H2,1-3H3
InChIKeyFZZUBQBESJQMHW-UHFFFAOYSA-N
XLogP3.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-6,6,7-trimethyl-5H-quinazoline 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 4-chloro-6,6,7-trimethyl-5H-quinazoline?
The IUPAC name of 4-chloro-6,6,7-trimethyl-5H-quinazoline (CID 87167476) is 4-chloro-6,6,7-trimethyl-5H-quinazoline.
What is the SMILES notation for 4-chloro-6,6,7-trimethyl-5H-quinazoline?
The canonical SMILES for 4-chloro-6,6,7-trimethyl-5H-quinazoline is CC1=Cc2ncnc(Cl)c2CC1(C)C.
What is the InChIKey of 4-chloro-6,6,7-trimethyl-5H-quinazoline?
The InChIKey is FZZUBQBESJQMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7-4-9-8(5-11(7,2)3)10(12)14-6-13-9/h4,6H,5H2,1-3H3.
What are the key properties of 4-chloro-6,6,7-trimethyl-5H-quinazoline?
4-chloro-6,6,7-trimethyl-5H-quinazoline has a molecular weight of 208.69 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,6,7-trimethyl-5H-quinazoline is sourced from PubChem (CID 87167476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).