N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

C28H26N4O2 — CID 162650755

IUPACN,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1nc2ccccc2cc1CN(Cc1ccccn1)Cc1cc2ccccc2nc1OC
InChIInChI=1S/C28H26N4O2/c1-33-27-22(15-20-9-3-5-12-25(20)30-27)17-32(19-24-11-7-8-14-29-24)18-23-16-21-10-4-6-13-26(21)31-28(23)34-2/h3-16H,17-19H2,1-2H3
InChIKeyMOJNMFKPBKAZOW-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.40
Rot. Bonds8

About N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162650755) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162650755
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1nc2ccccc2cc1CN(Cc1ccccn1)Cc1cc2ccccc2nc1OC
InChIInChI=1S/C28H26N4O2/c1-33-27-22(15-20-9-3-5-12-25(20)30-27)17-32(19-24-11-7-8-14-29-24)18-23-16-21-10-4-6-13-26(21)31-28(23)34-2/h3-16H,17-19H2,1-2H3
InChIKeyMOJNMFKPBKAZOW-UHFFFAOYSA-N
XLogP5.40
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162650755) is N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is COc1nc2ccccc2cc1CN(Cc1ccccn1)Cc1cc2ccccc2nc1OC.
What is the InChIKey of N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is MOJNMFKPBKAZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-33-27-22(15-20-9-3-5-12-25(20)30-27)17-32(19-24-11-7-8-14-29-24)18-23-16-21-10-4-6-13-26(21)31-28(23)34-2/h3-16H,17-19H2,1-2H3.
What are the key properties of N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 450.54 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162650755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).