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

C15H9ClF2N2 — CID 114590262

IUPAC4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
SMILESCc1cc(-c2nc(Cl)c3c(F)cccc3n2)ccc1F
InChIInChI=1S/C15H9ClF2N2/c1-8-7-9(5-6-10(8)17)15-19-12-4-2-3-11(18)13(12)14(16)20-15/h2-7H,1H3
InChIKeyKXBWNHPNQOYETK-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.54
Rot. Bonds1

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

4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline (PubChem CID 114590262) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
PubChem CID114590262
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline
SMILESCc1cc(-c2nc(Cl)c3c(F)cccc3n2)ccc1F
InChIInChI=1S/C15H9ClF2N2/c1-8-7-9(5-6-10(8)17)15-19-12-4-2-3-11(18)13(12)14(16)20-15/h2-7H,1H3
InChIKeyKXBWNHPNQOYETK-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline (CID 114590262) is 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline is Cc1cc(-c2nc(Cl)c3c(F)cccc3n2)ccc1F.
What is the InChIKey of 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline?
The InChIKey is KXBWNHPNQOYETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c1-8-7-9(5-6-10(8)17)15-19-12-4-2-3-11(18)13(12)14(16)20-15/h2-7H,1H3.
What are the key properties of 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline?
4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline has a molecular weight of 290.70 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(4-fluoro-3-methylphenyl)quinazoline is sourced from PubChem (CID 114590262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).