4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

C23H22N4 — CID 10043719

IUPAC4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C23H22N4/c1-3-27(18-12-5-4-6-13-18)22-19-14-8-10-16-21(19)25-23(26-22)24-20-15-9-7-11-17(20)2/h4-16H,3H2,1-2H3,(H,24,25,26)
InChIKeyDJLUXYBZWMQKTE-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.84
Rot. Bonds5

About 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine

4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10043719) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID10043719
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C23H22N4/c1-3-27(18-12-5-4-6-13-18)22-19-14-8-10-16-21(19)25-23(26-22)24-20-15-9-7-11-17(20)2/h4-16H,3H2,1-2H3,(H,24,25,26)
InChIKeyDJLUXYBZWMQKTE-UHFFFAOYSA-N
XLogP5.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (CID 10043719) is 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is CCN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12.
What is the InChIKey of 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is DJLUXYBZWMQKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-3-27(18-12-5-4-6-13-18)22-19-14-8-10-16-21(19)25-23(26-22)24-20-15-9-7-11-17(20)2/h4-16H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10043719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).