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

C29H38N6O3 — CID 137359981

IUPACN-[(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
SMILESCCC(C)(C)N1CCCC(c2nc3c4cccc(OC)c4nc(NCc4ccc(OC)cc4OC)n3n2)C1
InChIInChI=1S/C29H38N6O3/c1-7-29(2,3)34-15-9-10-20(18-34)26-32-27-22-11-8-12-23(37-5)25(22)31-28(35(27)33-26)30-17-19-13-14-21(36-4)16-24(19)38-6/h8,11-14,16,20H,7,9-10,15,17-18H2,1-6H3,(H,30,31)
InChIKeyNRSHYJFMTRIAFV-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.28
Rot. Bonds9

About 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

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 (PubChem CID 137359981) has the molecular formula C29H38N6O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID137359981
Molecular FormulaC29H38N6O3
Molecular Weight518.66 g/mol
Exact Mass518.30
IUPAC NameN-[(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
SMILESCCC(C)(C)N1CCCC(c2nc3c4cccc(OC)c4nc(NCc4ccc(OC)cc4OC)n3n2)C1
InChIInChI=1S/C29H38N6O3/c1-7-29(2,3)34-15-9-10-20(18-34)26-32-27-22-11-8-12-23(37-5)25(22)31-28(35(27)33-26)30-17-19-13-14-21(36-4)16-24(19)38-6/h8,11-14,16,20H,7,9-10,15,17-18H2,1-6H3,(H,30,31)
InChIKeyNRSHYJFMTRIAFV-UHFFFAOYSA-N
XLogP5.28
TPSA86.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-methoxy-2-(3-methylcyclobutyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169151089
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
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597733
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
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
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
7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-2-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 163532194
[(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
lithium;[5-[(2,4-dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]methanone;hydroxide
CID 156624331
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(C)N1CCCC(c2nc3c4cccc(OC)c4nc(NCc4ccc(OC)cc4OC)n3n2)C1.
What is the InChIKey of 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?
The InChIKey is NRSHYJFMTRIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O3/c1-7-29(2,3)34-15-9-10-20(18-34)26-32-27-22-11-8-12-23(37-5)25(22)31-28(35(27)33-26)30-17-19-13-14-21(36-4)16-24(19)38-6/h8,11-14,16,20H,7,9-10,15,17-18H2,1-6H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 518.66 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137359981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).