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

C28H43N7 — CID 143422412

IUPACN-[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
SMILESCCN(C)CCCNC1=CCC=Cc2nc(CN(C)[C@H]3CCCc4cccnc43)c(CN(C)C)n21
InChIInChI=1S/C28H43N7/c1-6-33(4)19-11-18-29-26-15-7-8-16-27-31-23(25(35(26)27)21-32(2)3)20-34(5)24-14-9-12-22-13-10-17-30-28(22)24/h8,10,13,15-17,24,29H,6-7,9,11-12,14,18-21H2,1-5H3/t24-/m0/s1
InChIKeyUQUOBNDCZUFFKZ-DEOSSOPVSA-N
MW477.70 g/mol
LogP4.00
Rot. Bonds11

About 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

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 (PubChem CID 143422412) has the molecular formula C28H43N7 and a molecular weight of 477.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID143422412
Molecular FormulaC28H43N7
Molecular Weight477.70 g/mol
Exact Mass477.36
IUPAC NameN-[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
SMILESCCN(C)CCCNC1=CCC=Cc2nc(CN(C)[C@H]3CCCc4cccnc43)c(CN(C)C)n21
InChIInChI=1S/C28H43N7/c1-6-33(4)19-11-18-29-26-15-7-8-16-27-31-23(25(35(26)27)21-32(2)3)20-34(5)24-14-9-12-22-13-10-17-30-28(22)24/h8,10,13,15-17,24,29H,6-7,9,11-12,14,18-21H2,1-5H3/t24-/m0/s1
InChIKeyUQUOBNDCZUFFKZ-DEOSSOPVSA-N
XLogP4.00
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
(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
(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-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11617982
N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 143187001
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
N-methyl-N-[[1-[3-[methyl(pyridin-2-yl)amino]propyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 20846069
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
N-[[1-[4-(dimethylamino)but-2-enyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 69249245

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C)CCCNC1=CCC=Cc2nc(CN(C)[C@H]3CCCc4cccnc43)c(CN(C)C)n21.
What is the InChIKey of 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?
The InChIKey is UQUOBNDCZUFFKZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H43N7/c1-6-33(4)19-11-18-29-26-15-7-8-16-27-31-23(25(35(26)27)21-32(2)3)20-34(5)24-14-9-12-22-13-10-17-30-28(22)24/h8,10,13,15-17,24,29H,6-7,9,11-12,14,18-21H2,1-5H3/t24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 477.70 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143422412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).