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

C18H16N6O — CID 10268483

IUPAC2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1
InChIInChI=1S/C18H16N6O/c1-11-19-18(24-23-11)22-16-12-7-3-5-9-14(12)20-17(21-16)13-8-4-6-10-15(13)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyFPGFRAWZLBHWRM-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.48
Rot. Bonds4

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

2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine (PubChem CID 10268483) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
PubChem CID10268483
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1
InChIInChI=1S/C18H16N6O/c1-11-19-18(24-23-11)22-16-12-7-3-5-9-14(12)20-17(21-16)13-8-4-6-10-15(13)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyFPGFRAWZLBHWRM-UHFFFAOYSA-N
XLogP3.48
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine (CID 10268483) is 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine is COc1ccccc1-c1nc(Nc2n[nH]c(C)n2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine?
The InChIKey is FPGFRAWZLBHWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-19-18(24-23-11)22-16-12-7-3-5-9-14(12)20-17(21-16)13-8-4-6-10-15(13)25-2/h3-10H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine?
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10268483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).