4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine

C14H9Cl2FN4 — CID 83073018

IUPAC4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2c(Cl)cc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C14H9Cl2FN4/c15-9-5-7(17)6-10(16)12(9)20-13-8-3-1-2-4-11(8)19-14(18)21-13/h1-6H,(H3,18,19,20,21)
InChIKeyGWOAIFRNKFCBBL-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.40
Rot. Bonds2

About 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine

4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine (PubChem CID 83073018) has the molecular formula C14H9Cl2FN4 and a molecular weight of 323.16 g/mol. Its IUPAC name is 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine
PubChem CID83073018
Molecular FormulaC14H9Cl2FN4
Molecular Weight323.16 g/mol
Exact Mass322.02
IUPAC Name4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2c(Cl)cc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C14H9Cl2FN4/c15-9-5-7(17)6-10(16)12(9)20-13-8-3-1-2-4-11(8)19-14(18)21-13/h1-6H,(H3,18,19,20,21)
InChIKeyGWOAIFRNKFCBBL-UHFFFAOYSA-N
XLogP4.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine (CID 83073018) is 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine is Nc1nc(Nc2c(Cl)cc(F)cc2Cl)c2ccccc2n1.
What is the InChIKey of 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine?
The InChIKey is GWOAIFRNKFCBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4/c15-9-5-7(17)6-10(16)12(9)20-13-8-3-1-2-4-11(8)19-14(18)21-13/h1-6H,(H3,18,19,20,21).
What are the key properties of 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine?
4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine has a molecular weight of 323.16 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 83073018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).