2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine

C23H21ClN4 — CID 56729221

IUPAC2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
SMILESCc1ccc(Cl)cc1Nc1nc(NC(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H21ClN4/c1-15-12-13-18(24)14-21(15)27-23-26-20-11-7-6-10-19(20)22(28-23)25-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H2,25,26,27,28)
InChIKeyKJYURHJXFHADKF-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.51
Rot. Bonds5

About 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine

2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine (PubChem CID 56729221) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
PubChem CID56729221
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC Name2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
SMILESCc1ccc(Cl)cc1Nc1nc(NC(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H21ClN4/c1-15-12-13-18(24)14-21(15)27-23-26-20-11-7-6-10-19(20)22(28-23)25-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H2,25,26,27,28)
InChIKeyKJYURHJXFHADKF-UHFFFAOYSA-N
XLogP6.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chloro-2-methylanilino)quinazolin-4-yl]amino]propanoic acid
CID 91963997
2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916685
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
2-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenol
CID 56729182
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
4-N-[1-(3-chloro-4-methylphenyl)ethyl]-2-N-cyclopentylquinazoline-2,4-diamine
CID 170029750
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine (CID 56729221) is 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine is Cc1ccc(Cl)cc1Nc1nc(NC(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is KJYURHJXFHADKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c1-15-12-13-18(24)14-21(15)27-23-26-20-11-7-6-10-19(20)22(28-23)25-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine?
2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 388.90 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56729221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).