(8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C24H35N5O — CID 143545708

IUPAC(8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC=Cc1nc(CN(C)[C@H]2CCCc3cccnc32)c(CN(CC)CCOC)n1C=C
InChIInChI=1S/C24H35N5O/c1-6-23-26-20(22(29(23)8-3)18-28(7-2)15-16-30-5)17-27(4)21-13-9-11-19-12-10-14-25-24(19)21/h6,8,10,12,14,21H,1,3,7,9,11,13,15-18H2,2,4-5H3/t21-/m0/s1
InChIKeyBEMYIAIBRPTVQB-NRFANRHFSA-N
MW409.58 g/mol
LogP4.00
Rot. Bonds11

About (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 143545708) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID143545708
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name(8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC=Cc1nc(CN(C)[C@H]2CCCc3cccnc32)c(CN(CC)CCOC)n1C=C
InChIInChI=1S/C24H35N5O/c1-6-23-26-20(22(29(23)8-3)18-28(7-2)15-16-30-5)17-27(4)21-13-9-11-19-12-10-14-25-24(19)21/h6,8,10,12,14,21H,1,3,7,9,11,13,15-18H2,2,4-5H3/t21-/m0/s1
InChIKeyBEMYIAIBRPTVQB-NRFANRHFSA-N
XLogP4.00
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(1-bromobut-3-enyl)imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
CID 143518631
N-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ynamide
CID 146083735
(8S)-N-methyl-N-[[3-[[methyl(2-methylpropyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 24829991
N-[3-[(dimethylamino)methyl]-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-7H-imidazo[1,2-a]azepin-5-yl]-N'-ethyl-N'-methylpropane-1,3-diamine
CID 143422412
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
(8R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 100668970
N'-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]methyl]propane-1,3-diamine
CID 24830159
3-(diethylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79745841
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
N-[[3-chloro-5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 75276085

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 143545708) is (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is C=Cc1nc(CN(C)[C@H]2CCCc3cccnc32)c(CN(CC)CCOC)n1C=C.
What is the InChIKey of (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is BEMYIAIBRPTVQB-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35N5O/c1-6-23-26-20(22(29(23)8-3)18-28(7-2)15-16-30-5)17-27(4)21-13-9-11-19-12-10-14-25-24(19)21/h6,8,10,12,14,21H,1,3,7,9,11,13,15-18H2,2,4-5H3/t21-/m0/s1.
What are the key properties of (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 409.58 g/mol, XLogP of 4.00, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[[1,2-bis(ethenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 143545708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).