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

C20H16Cl2N4 — CID 67720832

IUPAC2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15ClN4.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
InChIKeyBCMLGSRWMXUHSG-UHFFFAOYSA-N
MW383.28 g/mol
LogP6.19
Rot. Bonds4

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

2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride (PubChem CID 67720832) has the molecular formula C20H16Cl2N4 and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
PubChem CID67720832
Molecular FormulaC20H16Cl2N4
Molecular Weight383.28 g/mol
Exact Mass382.08
IUPAC Name2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
SMILESCl.Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C20H15ClN4.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
InChIKeyBCMLGSRWMXUHSG-UHFFFAOYSA-N
XLogP6.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride (CID 67720832) is 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride is Cl.Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is BCMLGSRWMXUHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4.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-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride?
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 383.28 g/mol, XLogP of 6.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 67720832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).