2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride

C20H16ClFN4 — CID 67720007

IUPAC2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15FN4.ClH/c21-14-10-12-16(13-11-14)23-20-24-18-9-5-4-8-17(18)19(25-20)22-15-6-2-1-3-7-15;/h1-13H,(H2,22,23,24,25);1H
InChIKeyXDSYUFWTYOJTAT-UHFFFAOYSA-N
MW366.83 g/mol
LogP5.68
Rot. Bonds4

About 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride

2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride (PubChem CID 67720007) has the molecular formula C20H16ClFN4 and a molecular weight of 366.83 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
PubChem CID67720007
Molecular FormulaC20H16ClFN4
Molecular Weight366.83 g/mol
Exact Mass366.10
IUPAC Name2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15FN4.ClH/c21-14-10-12-16(13-11-14)23-20-24-18-9-5-4-8-17(18)19(25-20)22-15-6-2-1-3-7-15;/h1-13H,(H2,22,23,24,25);1H
InChIKeyXDSYUFWTYOJTAT-UHFFFAOYSA-N
XLogP5.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.83
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride (CID 67720007) is 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride is Cl.Fc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is XDSYUFWTYOJTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4.ClH/c21-14-10-12-16(13-11-14)23-20-24-18-9-5-4-8-17(18)19(25-20)22-15-6-2-1-3-7-15;/h1-13H,(H2,22,23,24,25);1H.
What are the key properties of 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 366.83 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67720007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).