N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine

C46H44N6O4 — CID 11563958

IUPACN,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc2nc(CN(CCN(Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)ccc2c1
InChIInChI=1S/C46H44N6O4/c1-53-39-13-17-43-31(23-39)5-9-35(47-43)27-51(28-36-10-6-32-24-40(54-2)14-18-44(32)48-36)21-22-52(29-37-11-7-33-25-41(55-3)15-19-45(33)49-37)30-38-12-8-34-26-42(56-4)16-20-46(34)50-38/h5-20,23-26H,21-22,27-30H2,1-4H3
InChIKeyAHLMOKHJFBXJAI-UHFFFAOYSA-N
MW744.90 g/mol
LogP8.62
Rot. Bonds15

About N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine

N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 11563958) has the molecular formula C46H44N6O4 and a molecular weight of 744.90 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine
PubChem CID11563958
Molecular FormulaC46H44N6O4
Molecular Weight744.90 g/mol
Exact Mass744.34
IUPAC NameN,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ccc2nc(CN(CCN(Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)ccc2c1
InChIInChI=1S/C46H44N6O4/c1-53-39-13-17-43-31(23-39)5-9-35(47-43)27-51(28-36-10-6-32-24-40(54-2)14-18-44(32)48-36)21-22-52(29-37-11-7-33-25-41(55-3)15-19-45(33)49-37)30-38-12-8-34-26-42(56-4)16-20-46(34)50-38/h5-20,23-26H,21-22,27-30H2,1-4H3
InChIKeyAHLMOKHJFBXJAI-UHFFFAOYSA-N
XLogP8.62
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CID 9831373
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1070294
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-methylpropane-1,3-diamine
CID 44422529
N'-[1-[(3,5-dimethoxyphenyl)methyl]-2-methylquinolin-1-ium-4-yl]-N-(2-methylquinolin-4-yl)decane-1,10-diamine
CID 10795044
6-chloro-2-methoxy-N-[4-[4-[3-(N-phenylanilino)propyl]piperazin-1-yl]butyl]acridin-9-amine
CID 11854499
6-chloro-2-methoxy-N-[2-[4-[3-(N-phenylanilino)propyl]piperazin-1-yl]ethyl]acridin-9-amine
CID 11975333
6-chloro-2-methoxy-N-[3-[4-[3-(N-phenylanilino)propyl]piperazin-1-yl]propyl]acridin-9-amine
CID 11975445

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine (CID 11563958) is N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine is COc1ccc2nc(CN(CCN(Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)ccc2c1.
What is the InChIKey of N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is AHLMOKHJFBXJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N6O4/c1-53-39-13-17-43-31(23-39)5-9-35(47-43)27-51(28-36-10-6-32-24-40(54-2)14-18-44(32)48-36)21-22-52(29-37-11-7-33-25-41(55-3)15-19-45(33)49-37)30-38-12-8-34-26-42(56-4)16-20-46(34)50-38/h5-20,23-26H,21-22,27-30H2,1-4H3.
What are the key properties of N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine?
N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 744.90 g/mol, XLogP of 8.62, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 11563958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).