4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline

C16H12ClFN2 — CID 81481875

IUPAC4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
SMILESCc1cccc(-c2nc(Cl)c3c(C)cccc3n2)c1F
InChIInChI=1S/C16H12ClFN2/c1-9-5-4-8-12-13(9)15(17)20-16(19-12)11-7-3-6-10(2)14(11)18/h3-8H,1-2H3
InChIKeyUDWGDUBAAPODKH-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.71
Rot. Bonds1

About 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline

4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline (PubChem CID 81481875) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
PubChem CID81481875
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
SMILESCc1cccc(-c2nc(Cl)c3c(C)cccc3n2)c1F
InChIInChI=1S/C16H12ClFN2/c1-9-5-4-8-12-13(9)15(17)20-16(19-12)11-7-3-6-10(2)14(11)18/h3-8H,1-2H3
InChIKeyUDWGDUBAAPODKH-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline?
The IUPAC name of 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline (CID 81481875) is 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline is Cc1cccc(-c2nc(Cl)c3c(C)cccc3n2)c1F.
What is the InChIKey of 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline?
The InChIKey is UDWGDUBAAPODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-9-5-4-8-12-13(9)15(17)20-16(19-12)11-7-3-6-10(2)14(11)18/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline?
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline 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 4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline is sourced from PubChem (CID 81481875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).