4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine

C23H22N4 — CID 10066728

IUPAC4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(NCCc2ccccc2)nc2ccccc12
InChIInChI=1S/C23H22N4/c1-17-9-5-7-13-20(17)25-22-19-12-6-8-14-21(19)26-23(27-22)24-16-15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyQCQACOBJADYRJQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.34
Rot. Bonds6

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

4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine (PubChem CID 10066728) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
PubChem CID10066728
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(NCCc2ccccc2)nc2ccccc12
InChIInChI=1S/C23H22N4/c1-17-9-5-7-13-20(17)25-22-19-12-6-8-14-21(19)26-23(27-22)24-16-15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H2,24,25,26,27)
InChIKeyQCQACOBJADYRJQ-UHFFFAOYSA-N
XLogP5.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine (CID 10066728) is 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine is Cc1ccccc1Nc1nc(NCCc2ccccc2)nc2ccccc12.
What is the InChIKey of 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
The InChIKey is QCQACOBJADYRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-17-9-5-7-13-20(17)25-22-19-12-6-8-14-21(19)26-23(27-22)24-16-15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine?
4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10066728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).