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

C22H20N4 — CID 10449929

IUPAC4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H20N4/c1-16-10-6-8-14-19(16)23-22-24-20-15-9-7-13-18(20)21(25-22)26(2)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,23,24,25)
InChIKeySAVMGTBAEUTHDE-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.45
Rot. Bonds4

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

4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10449929) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
PubChem CID10449929
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H20N4/c1-16-10-6-8-14-19(16)23-22-24-20-15-9-7-13-18(20)21(25-22)26(2)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,23,24,25)
InChIKeySAVMGTBAEUTHDE-UHFFFAOYSA-N
XLogP5.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine (CID 10449929) is 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is SAVMGTBAEUTHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-16-10-6-8-14-19(16)23-22-24-20-15-9-7-13-18(20)21(25-22)26(2)17-11-4-3-5-12-17/h3-15H,1-2H3,(H,23,24,25).
What are the key properties of 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine?
4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 340.43 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10449929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).