N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine

C23H18N6 — CID 10199665

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine
SMILESCc1nc(Nc2nc(-c3ccccc3-c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C23H18N6/c1-15-24-23(29-28-15)27-22-19-13-7-8-14-20(19)25-21(26-22)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-14H,1H3,(H2,24,25,26,27,28,29)
InChIKeyKWUQHWNPNMAAKJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.13
Rot. Bonds4

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine (PubChem CID 10199665) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine
PubChem CID10199665
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine
SMILESCc1nc(Nc2nc(-c3ccccc3-c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C23H18N6/c1-15-24-23(29-28-15)27-22-19-13-7-8-14-20(19)25-21(26-22)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-14H,1H3,(H2,24,25,26,27,28,29)
InChIKeyKWUQHWNPNMAAKJ-UHFFFAOYSA-N
XLogP5.13
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine (CID 10199665) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine is Cc1nc(Nc2nc(-c3ccccc3-c3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine?
The InChIKey is KWUQHWNPNMAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c1-15-24-23(29-28-15)27-22-19-13-7-8-14-20(19)25-21(26-22)18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-14H,1H3,(H2,24,25,26,27,28,29).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine has a molecular weight of 378.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine is sourced from PubChem (CID 10199665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).