N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine

C42H36N6 — CID 11614269

IUPACN,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc2nc(CN(CCN(Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C42H36N6/c1-5-13-39-31(9-1)17-21-35(43-39)27-47(28-36-22-18-32-10-2-6-14-40(32)44-36)25-26-48(29-37-23-19-33-11-3-7-15-41(33)45-37)30-38-24-20-34-12-4-8-16-42(34)46-38/h1-24H,25-30H2
InChIKeyUMUDCYCMHSGGEC-UHFFFAOYSA-N
MW624.79 g/mol
LogP8.58
Rot. Bonds11

About N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 11614269) has the molecular formula C42H36N6 and a molecular weight of 624.79 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine
PubChem CID11614269
Molecular FormulaC42H36N6
Molecular Weight624.79 g/mol
Exact Mass624.30
IUPAC NameN,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc2nc(CN(CCN(Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C42H36N6/c1-5-13-39-31(9-1)17-21-35(43-39)27-47(28-36-22-18-32-10-2-6-14-40(32)44-36)25-26-48(29-37-23-19-33-11-3-7-15-41(33)45-37)30-38-24-20-34-12-4-8-16-42(34)46-38/h1-24H,25-30H2
InChIKeyUMUDCYCMHSGGEC-UHFFFAOYSA-N
XLogP8.58
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine (CID 11614269) is N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine is c1ccc2nc(CN(CCN(Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UMUDCYCMHSGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N6/c1-5-13-39-31(9-1)17-21-35(43-39)27-47(28-36-22-18-32-10-2-6-14-40(32)44-36)25-26-48(29-37-23-19-33-11-3-7-15-41(33)45-37)30-38-24-20-34-12-4-8-16-42(34)46-38/h1-24H,25-30H2.
What are the key properties of N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 624.79 g/mol, XLogP of 8.58, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(quinolin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 11614269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).