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

C20H14Cl2N4 — CID 71690548

IUPAC2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4/c21-13-10-11-18(16(22)12-13)25-20-24-17-9-5-4-8-15(17)19(26-20)23-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26)
InChIKeyQYWPZXAHGRTMQG-UHFFFAOYSA-N
MW381.27 g/mol
LogP6.42
Rot. Bonds4

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

2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 71690548) has the molecular formula C20H14Cl2N4 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID71690548
Molecular FormulaC20H14Cl2N4
Molecular Weight381.27 g/mol
Exact Mass380.06
IUPAC Name2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESClc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4/c21-13-10-11-18(16(22)12-13)25-20-24-17-9-5-4-8-15(17)19(26-20)23-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26)
InChIKeyQYWPZXAHGRTMQG-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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Related Compounds

2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926979
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine (CID 71690548) is 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine is Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is QYWPZXAHGRTMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4/c21-13-10-11-18(16(22)12-13)25-20-24-17-9-5-4-8-15(17)19(26-20)23-14-6-2-1-3-7-14/h1-12H,(H2,23,24,25,26).
What are the key properties of 2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine?
2-N-(2,4-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-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 71690548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).