2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine

C14H8ClF2N3 — CID 62477687

IUPAC2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
SMILESFc1cc(F)cc(Nc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C14H8ClF2N3/c15-14-19-12-4-2-1-3-11(12)13(20-14)18-10-6-8(16)5-9(17)7-10/h1-7H,(H,18,19,20)
InChIKeyJWNPUFVHXJOWDT-UHFFFAOYSA-N
MW291.69 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine

2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine (PubChem CID 62477687) has the molecular formula C14H8ClF2N3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
PubChem CID62477687
Molecular FormulaC14H8ClF2N3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
SMILESFc1cc(F)cc(Nc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C14H8ClF2N3/c15-14-19-12-4-2-1-3-11(12)13(20-14)18-10-6-8(16)5-9(17)7-10/h1-7H,(H,18,19,20)
InChIKeyJWNPUFVHXJOWDT-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine (CID 62477687) is 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine is Fc1cc(F)cc(Nc2nc(Cl)nc3ccccc23)c1.
What is the InChIKey of 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine?
The InChIKey is JWNPUFVHXJOWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3/c15-14-19-12-4-2-1-3-11(12)13(20-14)18-10-6-8(16)5-9(17)7-10/h1-7H,(H,18,19,20).
What are the key properties of 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine?
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine has a molecular weight of 291.69 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 62477687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).