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

C23H21ClN4 — CID 71690708

IUPAC4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C23H21ClN4/c1-15-11-12-16(2)21(13-15)27-23-26-20-10-6-4-8-18(20)22(28-23)25-14-17-7-3-5-9-19(17)24/h3-13H,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyBYDPTJHXDLXTQO-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.26
Rot. Bonds5

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

4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine (PubChem CID 71690708) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
PubChem CID71690708
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC Name4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1
InChIInChI=1S/C23H21ClN4/c1-15-11-12-16(2)21(13-15)27-23-26-20-10-6-4-8-18(20)22(28-23)25-14-17-7-3-5-9-19(17)24/h3-13H,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyBYDPTJHXDLXTQO-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dichlorophenyl)quinazoline-2,4-diamine
CID 71690720
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 71690802
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
4-methyl-2-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]phenol
CID 91963559
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
2-N-(3-chloro-4-methylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 39861431
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
2-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729221
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine (CID 71690708) is 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine is Cc1ccc(C)c(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)c1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine?
The InChIKey is BYDPTJHXDLXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c1-15-11-12-16(2)21(13-15)27-23-26-20-10-6-4-8-18(20)22(28-23)25-14-17-7-3-5-9-19(17)24/h3-13H,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine has a molecular weight of 388.90 g/mol, XLogP of 6.26, 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-(2,5-dimethylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71690708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).