(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H32N6 — CID 11632802

IUPAC(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)n(C)c23)CC1
InChIInChI=1S/C24H32N6/c1-27-13-15-30(16-14-27)21-11-5-9-19-24(21)29(3)22(26-19)17-28(2)20-10-4-7-18-8-6-12-25-23(18)20/h5-6,8-9,11-12,20H,4,7,10,13-17H2,1-3H3/t20-/m0/s1
InChIKeyJKAGHWHIEIKQQE-FQEVSTJZSA-N
MW404.56 g/mol
LogP3.23
Rot. Bonds4

About (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11632802) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11632802
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)n(C)c23)CC1
InChIInChI=1S/C24H32N6/c1-27-13-15-30(16-14-27)21-11-5-9-19-24(21)29(3)22(26-19)17-28(2)20-10-4-7-18-8-6-12-25-23(18)20/h5-6,8-9,11-12,20H,4,7,10,13-17H2,1-3H3/t20-/m0/s1
InChIKeyJKAGHWHIEIKQQE-FQEVSTJZSA-N
XLogP3.23
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
tert-butyl 4-[2-[[benzyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3-methylbenzimidazol-4-yl]piperazine-1-carboxylate
CID 69230273
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 11560480
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11661361
N-[[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276084
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11675794
N-methyl-N-[[1-[3-[methyl(pyridin-2-yl)amino]propyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 20846069
2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]acetic acid
CID 68868531
N-[[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11668169

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11632802) is (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)n(C)c23)CC1.
What is the InChIKey of (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JKAGHWHIEIKQQE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N6/c1-27-13-15-30(16-14-27)21-11-5-9-19-24(21)29(3)22(26-19)17-28(2)20-10-4-7-18-8-6-12-25-23(18)20/h5-6,8-9,11-12,20H,4,7,10,13-17H2,1-3H3/t20-/m0/s1.
What are the key properties of (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-[[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11632802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).