N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C25H35N7 — CID 160710266

IUPACN-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nnc(CC2CCN(CC3=NC=CC3)CC2)n1C)C1CCCc2cccnc21
InChIInChI=1S/C25H35N7/c1-30(22-9-3-6-20-7-4-13-27-25(20)22)18-24-29-28-23(31(24)2)16-19-10-14-32(15-11-19)17-21-8-5-12-26-21/h4-5,7,12-13,19,22H,3,6,8-11,14-18H2,1-2H3
InChIKeyFNMSXEPBQPBCQN-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.33
Rot. Bonds7

About N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 160710266) has the molecular formula C25H35N7 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID160710266
Molecular FormulaC25H35N7
Molecular Weight433.60 g/mol
Exact Mass433.30
IUPAC NameN-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nnc(CC2CCN(CC3=NC=CC3)CC2)n1C)C1CCCc2cccnc21
InChIInChI=1S/C25H35N7/c1-30(22-9-3-6-20-7-4-13-27-25(20)22)18-24-29-28-23(31(24)2)16-19-10-14-32(15-11-19)17-21-8-5-12-26-21/h4-5,7,12-13,19,22H,3,6,8-11,14-18H2,1-2H3
InChIKeyFNMSXEPBQPBCQN-UHFFFAOYSA-N
XLogP3.33
TPSA62.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 70964890
N-[[5-[[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
CID 143870575
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11661361
2-[4-[6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 138501716
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11632802
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545596
N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride
CID 68794390
N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 143187001
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
N-methyl-N-[[1-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525963

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 160710266) is N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nnc(CC2CCN(CC3=NC=CC3)CC2)n1C)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is FNMSXEPBQPBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7/c1-30(22-9-3-6-20-7-4-13-27-25(20)22)18-24-29-28-23(31(24)2)16-19-10-14-32(15-11-19)17-21-8-5-12-26-21/h4-5,7,12-13,19,22H,3,6,8-11,14-18H2,1-2H3.
What are the key properties of N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 433.60 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-methyl-5-[[1-(3H-pyrrol-2-ylmethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 160710266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).