7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline

C16H12ClFN2 — CID 121266826

IUPAC7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
SMILESCc1cc(-c2ncnc3cc(Cl)ccc23)cc(C)c1F
InChIInChI=1S/C16H12ClFN2/c1-9-5-11(6-10(2)15(9)18)16-13-4-3-12(17)7-14(13)19-8-20-16/h3-8H,1-2H3
InChIKeyTULWPEKYSCJOMH-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.71
Rot. Bonds1

About 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline

7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline (PubChem CID 121266826) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
PubChem CID121266826
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
SMILESCc1cc(-c2ncnc3cc(Cl)ccc23)cc(C)c1F
InChIInChI=1S/C16H12ClFN2/c1-9-5-11(6-10(2)15(9)18)16-13-4-3-12(17)7-14(13)19-8-20-16/h3-8H,1-2H3
InChIKeyTULWPEKYSCJOMH-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)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 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
The IUPAC name of 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline (CID 121266826) is 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline.
What is the SMILES notation for 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
The canonical SMILES for 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline is Cc1cc(-c2ncnc3cc(Cl)ccc23)cc(C)c1F.
What is the InChIKey of 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
The InChIKey is TULWPEKYSCJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-9-5-11(6-10(2)15(9)18)16-13-4-3-12(17)7-14(13)19-8-20-16/h3-8H,1-2H3.
What are the key properties of 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?
7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline has a molecular weight of 286.74 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-fluoro-3,5-dimethylphenyl)quinazoline is sourced from PubChem (CID 121266826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).