8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C23H19N5O — CID 156536911

IUPAC8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCOc1ccccc1-c1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1
InChIInChI=1S/C23H19N5O/c1-27(17-8-4-3-5-9-17)22-19-13-12-16(18-10-6-7-11-21(18)29-2)14-20(19)28-15-24-26-23(28)25-22/h3-15H,1-2H3
InChIKeyWERKUTQEDNQMAA-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.72
Rot. Bonds4

About 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156536911) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156536911
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCOc1ccccc1-c1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1
InChIInChI=1S/C23H19N5O/c1-27(17-8-4-3-5-9-17)22-19-13-12-16(18-10-6-7-11-21(18)29-2)14-20(19)28-15-24-26-23(28)25-22/h3-15H,1-2H3
InChIKeyWERKUTQEDNQMAA-UHFFFAOYSA-N
XLogP4.72
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156536911) is 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is COc1ccccc1-c1ccc2c(N(C)c3ccccc3)nc3nncn3c2c1.
What is the InChIKey of 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is WERKUTQEDNQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-27(17-8-4-3-5-9-17)22-19-13-12-16(18-10-6-7-11-21(18)29-2)14-20(19)28-15-24-26-23(28)25-22/h3-15H,1-2H3.
What are the key properties of 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 381.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156536911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).