4,6-dichloro-2-(3,5-difluorophenyl)quinazoline

C14H6Cl2F2N2 — CID 63085337

IUPAC4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
SMILESFc1cc(F)cc(-c2nc(Cl)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C14H6Cl2F2N2/c15-8-1-2-12-11(5-8)13(16)20-14(19-12)7-3-9(17)6-10(18)4-7/h1-6H
InChIKeyPJZUGVLDLYYLJR-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.88
Rot. Bonds1

About 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline

4,6-dichloro-2-(3,5-difluorophenyl)quinazoline (PubChem CID 63085337) has the molecular formula C14H6Cl2F2N2 and a molecular weight of 311.12 g/mol. Its IUPAC name is 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
PubChem CID63085337
Molecular FormulaC14H6Cl2F2N2
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
SMILESFc1cc(F)cc(-c2nc(Cl)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C14H6Cl2F2N2/c15-8-1-2-12-11(5-8)13(16)20-14(19-12)7-3-9(17)6-10(18)4-7/h1-6H
InChIKeyPJZUGVLDLYYLJR-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline?
The IUPAC name of 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline (CID 63085337) is 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline.
What is the SMILES notation for 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline?
The canonical SMILES for 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline is Fc1cc(F)cc(-c2nc(Cl)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline?
The InChIKey is PJZUGVLDLYYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F2N2/c15-8-1-2-12-11(5-8)13(16)20-14(19-12)7-3-9(17)6-10(18)4-7/h1-6H.
What are the key properties of 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline?
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline has a molecular weight of 311.12 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3,5-difluorophenyl)quinazoline is sourced from PubChem (CID 63085337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).