N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine

C33H45N5 — CID 130467289

IUPACN'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
SMILESCc1ccc2c(NCCCCCCN(C)CCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
InChIInChI=1S/C33H45N5/c1-26-12-14-28-30(16-20-36-32(28)24-26)34-18-8-4-6-10-22-38(3)23-11-7-5-9-19-35-31-17-21-37-33-25-27(2)13-15-29(31)33/h12-17,20-21,24-25H,4-11,18-19,22-23H2,1-3H3,(H,34,36)(H,35,37)
InChIKeyLAIOCZJDTANCGD-UHFFFAOYSA-N
MW511.76 g/mol
LogP7.98
Rot. Bonds16

About N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine

N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine (PubChem CID 130467289) has the molecular formula C33H45N5 and a molecular weight of 511.76 g/mol. Its IUPAC name is N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
PubChem CID130467289
Molecular FormulaC33H45N5
Molecular Weight511.76 g/mol
Exact Mass511.37
IUPAC NameN'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
SMILESCc1ccc2c(NCCCCCCN(C)CCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
InChIInChI=1S/C33H45N5/c1-26-12-14-28-30(16-20-36-32(28)24-26)34-18-8-4-6-10-22-38(3)23-11-7-5-9-19-35-31-17-21-37-33-25-27(2)13-15-29(31)33/h12-17,20-21,24-25H,4-11,18-19,22-23H2,1-3H3,(H,34,36)(H,35,37)
InChIKeyLAIOCZJDTANCGD-UHFFFAOYSA-N
XLogP7.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.76
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine 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,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
7-methyl-N-propylquinolin-4-amine
CID 71072403
N-ethyl-7-methylquinolin-4-amine
CID 89060504
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
N'-[3-(3,4,5,6,8,9-hexahydrobenzo[b][1]benzazepin-11-yl)propyl]-N'-methyl-N-(7-methylquinolin-4-yl)butane-1,4-diamine
CID 143278337
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
N'-[[[(7-chloroquinolin-4-yl)amino]methyl-methylamino]methoxymethyl]-N'-methyl-N-(7-methylquinolin-4-yl)methanediamine
CID 155731585
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine?
The IUPAC name of N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine (CID 130467289) is N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine is Cc1ccc2c(NCCCCCCN(C)CCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1.
What is the InChIKey of N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine?
The InChIKey is LAIOCZJDTANCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5/c1-26-12-14-28-30(16-20-36-32(28)24-26)34-18-8-4-6-10-22-38(3)23-11-7-5-9-19-35-31-17-21-37-33-25-27(2)13-15-29(31)33/h12-17,20-21,24-25H,4-11,18-19,22-23H2,1-3H3,(H,34,36)(H,35,37).
What are the key properties of N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine?
N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine has a molecular weight of 511.76 g/mol, XLogP of 7.98, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine is sourced from PubChem (CID 130467289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).