4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline

C15H8ClF3N2 — CID 79757486

IUPAC4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
SMILESCc1cccc2nc(-c3ccc(F)c(F)c3F)nc(Cl)c12
InChIInChI=1S/C15H8ClF3N2/c1-7-3-2-4-10-11(7)14(16)21-15(20-10)8-5-6-9(17)13(19)12(8)18/h2-6H,1H3
InChIKeyFCCGXPQUQCSGAX-UHFFFAOYSA-N
MW308.69 g/mol
LogP4.68
Rot. Bonds1

About 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline

4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline (PubChem CID 79757486) has the molecular formula C15H8ClF3N2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
PubChem CID79757486
Molecular FormulaC15H8ClF3N2
Molecular Weight308.69 g/mol
Exact Mass308.03
IUPAC Name4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
SMILESCc1cccc2nc(-c3ccc(F)c(F)c3F)nc(Cl)c12
InChIInChI=1S/C15H8ClF3N2/c1-7-3-2-4-10-11(7)14(16)21-15(20-10)8-5-6-9(17)13(19)12(8)18/h2-6H,1H3
InChIKeyFCCGXPQUQCSGAX-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline?
The IUPAC name of 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline (CID 79757486) is 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline.
What is the SMILES notation for 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline?
The canonical SMILES for 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline is Cc1cccc2nc(-c3ccc(F)c(F)c3F)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline?
The InChIKey is FCCGXPQUQCSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2/c1-7-3-2-4-10-11(7)14(16)21-15(20-10)8-5-6-9(17)13(19)12(8)18/h2-6H,1H3.
What are the key properties of 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline?
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline has a molecular weight of 308.69 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline is sourced from PubChem (CID 79757486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).