4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine

C21H18N4 — CID 10064953

IUPAC4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine
SMILESCN(c1ccccc1)c1nc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-25(17-12-6-3-7-13-17)20-18-14-8-9-15-19(18)23-21(24-20)22-16-10-4-2-5-11-16/h2-15H,1H3,(H,22,23,24)
InChIKeyLGAUJTOROBSSIZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.14
Rot. Bonds4

About 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine

4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine (PubChem CID 10064953) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine
PubChem CID10064953
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine
SMILESCN(c1ccccc1)c1nc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C21H18N4/c1-25(17-12-6-3-7-13-17)20-18-14-8-9-15-19(18)23-21(24-20)22-16-10-4-2-5-11-16/h2-15H,1H3,(H,22,23,24)
InChIKeyLGAUJTOROBSSIZ-UHFFFAOYSA-N
XLogP5.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.14
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,4-N-diphenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine (CID 10064953) is 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine is CN(c1ccccc1)c1nc(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine?
The InChIKey is LGAUJTOROBSSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-25(17-12-6-3-7-13-17)20-18-14-8-9-15-19(18)23-21(24-20)22-16-10-4-2-5-11-16/h2-15H,1H3,(H,22,23,24).
What are the key properties of 4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine?
4-N-methyl-2-N,4-N-diphenylquinazoline-2,4-diamine has a molecular weight of 326.40 g/mol, XLogP of 5.14, 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,4-N-diphenylquinazoline-2,4-diamine is sourced from PubChem (CID 10064953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).