2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C26H30N6O3 — CID 156902988

IUPAC2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C4CCC5CCC4N5)nn23)c(OC)c1
InChIInChI=1S/C26H30N6O3/c1-33-17-10-7-15(22(13-17)35-3)14-27-26-29-23-19(5-4-6-21(23)34-2)25-30-24(31-32(25)26)18-11-8-16-9-12-20(18)28-16/h4-7,10,13,16,18,20,28H,8-9,11-12,14H2,1-3H3,(H,27,29)
InChIKeyZUIQJDIZMRIFLS-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.91
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 156902988) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID156902988
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(OC)cccc3c3nc(C4CCC5CCC4N5)nn23)c(OC)c1
InChIInChI=1S/C26H30N6O3/c1-33-17-10-7-15(22(13-17)35-3)14-27-26-29-23-19(5-4-6-21(23)34-2)25-30-24(31-32(25)26)18-11-8-16-9-12-20(18)28-16/h4-7,10,13,16,18,20,28H,8-9,11-12,14H2,1-3H3,(H,27,29)
InChIKeyZUIQJDIZMRIFLS-UHFFFAOYSA-N
XLogP3.91
TPSA94.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169151089
N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-[1-(2-methylbutan-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 137359981
2-[3-[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]piperidin-1-yl]-2-methylpropanenitrile
CID 137360155
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597733
N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-2-[(3R)-1-[1-(methylsulfanylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597576
tert-butyl N-[2-[6-[3-[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]cyclopentyl]-3-pyridinyl]propan-2-yl]carbamate
CID 169151055
7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 163944472
7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 163532194
lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide
CID 156624331
N-[(2,4-dimethoxyphenyl)methyl]-2-[2-[4-(4-ethylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258273
[(2S,5R)-5-[5-[(2,4-dimethoxyphenyl)methylamino]-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-2-methylpiperidin-1-yl]-(6-fluoro-2-methyl-3-pyridinyl)methanone
CID 171652397
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 156902988) is 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(OC)cccc3c3nc(C4CCC5CCC4N5)nn23)c(OC)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ZUIQJDIZMRIFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-33-17-10-7-15(22(13-17)35-3)14-27-26-29-23-19(5-4-6-21(23)34-2)25-30-24(31-32(25)26)18-11-8-16-9-12-20(18)28-16/h4-7,10,13,16,18,20,28H,8-9,11-12,14H2,1-3H3,(H,27,29).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 474.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-2-yl)-N-[(2,4-dimethoxyphenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 156902988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).