4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine

C14H10ClFN4 — CID 65336921

IUPAC4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
InChIInChI=1S/C14H10ClFN4/c15-8-1-4-12(11(16)5-8)20-14-10-3-2-9(17)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyDVIYKYMJWANVQM-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.75
Rot. Bonds2

About 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine

4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine (PubChem CID 65336921) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
PubChem CID65336921
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
InChIInChI=1S/C14H10ClFN4/c15-8-1-4-12(11(16)5-8)20-14-10-3-2-9(17)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyDVIYKYMJWANVQM-UHFFFAOYSA-N
XLogP3.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine (CID 65336921) is 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine is Nc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1.
What is the InChIKey of 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine?
The InChIKey is DVIYKYMJWANVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-8-1-4-12(11(16)5-8)20-14-10-3-2-9(17)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20).
What are the key properties of 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine?
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine has a molecular weight of 288.71 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65336921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).