8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H20N6O2 — CID 20880427

IUPAC8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NCc3cccnc3)n3nc(-c4ccccc4)nc3c2cc1OC
InChIInChI=1S/C23H20N6O2/c1-30-19-11-17-18(12-20(19)31-2)26-23(25-14-15-7-6-10-24-13-15)29-22(17)27-21(28-29)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyJQBRQRZVTRVMOH-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.97
Rot. Bonds6

About 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880427) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880427
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NCc3cccnc3)n3nc(-c4ccccc4)nc3c2cc1OC
InChIInChI=1S/C23H20N6O2/c1-30-19-11-17-18(12-20(19)31-2)26-23(25-14-15-7-6-10-24-13-15)29-22(17)27-21(28-29)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyJQBRQRZVTRVMOH-UHFFFAOYSA-N
XLogP3.97
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880428
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880462
8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 3240484
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
3-[[8,9-dimethoxy-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738375
N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880332
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-phenylethanone
CID 15993638
N-[(3,4-dimethoxyphenyl)methyl]-7-phenoxy-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002403
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880322
1-(4-bromophenyl)-2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 20855850

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880427) is 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(NCc3cccnc3)n3nc(-c4ccccc4)nc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is JQBRQRZVTRVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-30-19-11-17-18(12-20(19)31-2)26-23(25-14-15-7-6-10-24-13-15)29-22(17)27-21(28-29)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 412.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).