4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline

C16H12ClFN2 — CID 63084485

IUPAC4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
SMILESCc1ccc(F)cc1-c1nc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C16H12ClFN2/c1-9-6-7-11(18)8-13(9)16-19-14-10(2)4-3-5-12(14)15(17)20-16/h3-8H,1-2H3
InChIKeyBLGHHLZVWLDGOL-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.71
Rot. Bonds1

About 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline

4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline (PubChem CID 63084485) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
PubChem CID63084485
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
SMILESCc1ccc(F)cc1-c1nc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C16H12ClFN2/c1-9-6-7-11(18)8-13(9)16-19-14-10(2)4-3-5-12(14)15(17)20-16/h3-8H,1-2H3
InChIKeyBLGHHLZVWLDGOL-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-(5-fluoro-2-methylphenyl)-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline (CID 63084485) is 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline is Cc1ccc(F)cc1-c1nc(Cl)c2cccc(C)c2n1.
What is the InChIKey of 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline?
The InChIKey is BLGHHLZVWLDGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-9-6-7-11(18)8-13(9)16-19-14-10(2)4-3-5-12(14)15(17)20-16/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline?
4-chloro-2-(5-fluoro-2-methylphenyl)-8-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-(5-fluoro-2-methylphenyl)-8-methylquinazoline is sourced from PubChem (CID 63084485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).