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

C14H6ClF3N2 — CID 79749850

IUPAC4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
SMILESFc1ccc(-c2nc(Cl)c3ccccc3n2)c(F)c1F
InChIInChI=1S/C14H6ClF3N2/c15-13-7-3-1-2-4-10(7)19-14(20-13)8-5-6-9(16)12(18)11(8)17/h1-6H
InChIKeyXXVGRYMBZPSAMS-UHFFFAOYSA-N
MW294.66 g/mol
LogP4.37
Rot. Bonds1

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

4-chloro-2-(2,3,4-trifluorophenyl)quinazoline (PubChem CID 79749850) has the molecular formula C14H6ClF3N2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
PubChem CID79749850
Molecular FormulaC14H6ClF3N2
Molecular Weight294.66 g/mol
Exact Mass294.02
IUPAC Name4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
SMILESFc1ccc(-c2nc(Cl)c3ccccc3n2)c(F)c1F
InChIInChI=1S/C14H6ClF3N2/c15-13-7-3-1-2-4-10(7)19-14(20-13)8-5-6-9(16)12(18)11(8)17/h1-6H
InChIKeyXXVGRYMBZPSAMS-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 54.37
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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Related Compounds

4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-2-phenanthren-9-ylquinazoline
CID 139327721
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
CID 80550830
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
[2-(2,3-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62661816
2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
CID 59213691
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
CID 114088705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline?
The IUPAC name of 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline (CID 79749850) is 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline?
The canonical SMILES for 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline is Fc1ccc(-c2nc(Cl)c3ccccc3n2)c(F)c1F.
What is the InChIKey of 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline?
The InChIKey is XXVGRYMBZPSAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2/c15-13-7-3-1-2-4-10(7)19-14(20-13)8-5-6-9(16)12(18)11(8)17/h1-6H.
What are the key properties of 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline?
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline has a molecular weight of 294.66 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3,4-trifluorophenyl)quinazoline is sourced from PubChem (CID 79749850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).