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

C21H17FN4 — CID 797650

IUPAC4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17FN4/c22-16-10-12-17(13-11-16)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyWNRMKDGPIGNNNA-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.12
Rot. Bonds5

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

4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine (PubChem CID 797650) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine
PubChem CID797650
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine
SMILESFc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C21H17FN4/c22-16-10-12-17(13-11-16)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26)
InChIKeyWNRMKDGPIGNNNA-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-(4-fluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine (CID 797650) is 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine is Fc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine?
The InChIKey is WNRMKDGPIGNNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c22-16-10-12-17(13-11-16)24-21-25-19-9-5-4-8-18(19)20(26-21)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(4-fluorophenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(4-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-(4-fluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 797650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).