4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine

C21H17FN4 — CID 886196

IUPAC4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine
SMILESFc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H17FN4/c22-17-11-5-7-13-19(17)25-21-24-18-12-6-4-10-16(18)20(26-21)23-14-15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyDNDDDUHCSFKJDN-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.12
Rot. Bonds5

About 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine

4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine (PubChem CID 886196) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine
PubChem CID886196
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine
SMILESFc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H17FN4/c22-17-11-5-7-13-19(17)25-21-24-18-12-6-4-10-16(18)20(26-21)23-14-15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyDNDDDUHCSFKJDN-UHFFFAOYSA-N
XLogP5.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine (CID 886196) is 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine is Fc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine?
The InChIKey is DNDDDUHCSFKJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c22-17-11-5-7-13-19(17)25-21-24-18-12-6-4-10-16(18)20(26-21)23-14-15-8-2-1-3-9-15/h1-13H,14H2,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine has a molecular weight of 344.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-fluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 886196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).