4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine

C21H15Cl3N4 — CID 71690720

IUPAC4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C21H15Cl3N4/c22-14-9-15(23)11-16(10-14)26-21-27-19-8-4-2-6-17(19)20(28-21)25-12-13-5-1-3-7-18(13)24/h1-11H,12H2,(H2,25,26,27,28)
InChIKeyJUYCRIKWOAPGMM-UHFFFAOYSA-N
MW429.74 g/mol
LogP6.95
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine

4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine (PubChem CID 71690720) has the molecular formula C21H15Cl3N4 and a molecular weight of 429.74 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
PubChem CID71690720
Molecular FormulaC21H15Cl3N4
Molecular Weight429.74 g/mol
Exact Mass428.04
IUPAC Name4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C21H15Cl3N4/c22-14-9-15(23)11-16(10-14)26-21-27-19-8-4-2-6-17(19)20(28-21)25-12-13-5-1-3-7-18(13)24/h1-11H,12H2,(H2,25,26,27,28)
InChIKeyJUYCRIKWOAPGMM-UHFFFAOYSA-N
XLogP6.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.74
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707
4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
CID 71690708
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
2-N-(3-chlorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963528
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(3-chloro-4-fluorophenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861440
2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine
CID 134109487
2-N-[(2,4-dichlorophenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963629
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
CID 12703339

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine (CID 71690720) is 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine is Clc1cc(Cl)cc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine?
The InChIKey is JUYCRIKWOAPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N4/c22-14-9-15(23)11-16(10-14)26-21-27-19-8-4-2-6-17(19)20(28-21)25-12-13-5-1-3-7-18(13)24/h1-11H,12H2,(H2,25,26,27,28).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine has a molecular weight of 429.74 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71690720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).