2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine

C20H14Cl2N4 — CID 71690550

IUPAC2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C20H14Cl2N4/c21-13-10-14(22)12-16(11-13)24-20-25-18-9-5-4-8-17(18)19(26-20)23-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25,26)
InChIKeyBHWJDVSDWJQNED-UHFFFAOYSA-N
MW381.27 g/mol
LogP6.42
Rot. Bonds4

About 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine

2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 71690550) has the molecular formula C20H14Cl2N4 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID71690550
Molecular FormulaC20H14Cl2N4
Molecular Weight381.27 g/mol
Exact Mass380.06
IUPAC Name2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C20H14Cl2N4/c21-13-10-14(22)12-16(11-13)24-20-25-18-9-5-4-8-17(18)19(26-20)23-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25,26)
InChIKeyBHWJDVSDWJQNED-UHFFFAOYSA-N
XLogP6.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine (CID 71690550) is 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine is Clc1cc(Cl)cc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is BHWJDVSDWJQNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4/c21-13-10-14(22)12-16(11-13)24-20-25-18-9-5-4-8-17(18)19(26-20)23-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25,26).
What are the key properties of 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 381.27 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 71690550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).