8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H26N6O3 — CID 3240484

IUPAC8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NCCN3CCOCC3)n3nc(-c4ccccc4)nc3c2cc1OC
InChIInChI=1S/C23H26N6O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(24-8-9-28-10-12-32-13-11-28)29-22(17)26-21(27-29)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,24,25)
InChIKeyVVFWSQXWESEICV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.71
Rot. Bonds7

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

8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 3240484) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID3240484
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(NCCN3CCOCC3)n3nc(-c4ccccc4)nc3c2cc1OC
InChIInChI=1S/C23H26N6O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(24-8-9-28-10-12-32-13-11-28)29-22(17)26-21(27-29)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,24,25)
InChIKeyVVFWSQXWESEICV-UHFFFAOYSA-N
XLogP2.71
TPSA86.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[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
8,9-dimethoxy-2-phenyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880427
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
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
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880267
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2,3-dihydroxybutanedioic acid;6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 25128005
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-phenylethanone
CID 15993638
2-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 20855857
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 3240484) is 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(NCCN3CCOCC3)n3nc(-c4ccccc4)nc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is VVFWSQXWESEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(24-8-9-28-10-12-32-13-11-28)29-22(17)26-21(27-29)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,24,25).
What are the key properties of 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 434.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-N-(2-morpholin-4-ylethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 3240484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).