1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine

C32H27N5 — CID 139026295

IUPAC1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine
SMILESc1ccc(CC(c2ccccn2)N(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)nc1
InChIInChI=1S/C32H27N5/c1-3-12-29-24(9-1)15-17-27(35-29)22-37(23-28-18-16-25-10-2-4-13-30(25)36-28)32(31-14-6-8-20-34-31)21-26-11-5-7-19-33-26/h1-20,32H,21-23H2
InChIKeyMEJXCUAHWFFJFN-UHFFFAOYSA-N
MW481.60 g/mol
LogP6.56
Rot. Bonds8

About 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine

1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine (PubChem CID 139026295) has the molecular formula C32H27N5 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine
PubChem CID139026295
Molecular FormulaC32H27N5
Molecular Weight481.60 g/mol
Exact Mass481.23
IUPAC Name1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine
SMILESc1ccc(CC(c2ccccn2)N(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)nc1
InChIInChI=1S/C32H27N5/c1-3-12-29-24(9-1)15-17-27(35-29)22-37(23-28-18-16-25-10-2-4-13-30(25)36-28)32(31-14-6-8-20-34-31)21-26-11-5-7-19-33-26/h1-20,32H,21-23H2
InChIKeyMEJXCUAHWFFJFN-UHFFFAOYSA-N
XLogP6.56
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine (CID 139026295) is 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine is c1ccc(CC(c2ccccn2)N(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)nc1.
What is the InChIKey of 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine?
The InChIKey is MEJXCUAHWFFJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5/c1-3-12-29-24(9-1)15-17-27(35-29)22-37(23-28-18-16-25-10-2-4-13-30(25)36-28)32(31-14-6-8-20-34-31)21-26-11-5-7-19-33-26/h1-20,32H,21-23H2.
What are the key properties of 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine?
1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine has a molecular weight of 481.60 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipyridin-2-yl-N,N-bis(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 139026295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).