N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

C30H30N4O4 — CID 162675860

IUPACN,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc2nc(OC)c(CN(Cc3ccccn3)Cc3cc4cc(OC)ccc4nc3OC)cc2c1
InChIInChI=1S/C30H30N4O4/c1-35-25-8-10-27-20(15-25)13-22(29(32-27)37-3)17-34(19-24-7-5-6-12-31-24)18-23-14-21-16-26(36-2)9-11-28(21)33-30(23)38-4/h5-16H,17-19H2,1-4H3
InChIKeyUTAQSUFZJJWGHY-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.41
Rot. Bonds10

About N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162675860) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162675860
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC NameN,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc2nc(OC)c(CN(Cc3ccccn3)Cc3cc4cc(OC)ccc4nc3OC)cc2c1
InChIInChI=1S/C30H30N4O4/c1-35-25-8-10-27-20(15-25)13-22(29(32-27)37-3)17-34(19-24-7-5-6-12-31-24)18-23-14-21-16-26(36-2)9-11-28(21)33-30(23)38-4/h5-16H,17-19H2,1-4H3
InChIKeyUTAQSUFZJJWGHY-UHFFFAOYSA-N
XLogP5.41
TPSA78.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162675860) is N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is COc1ccc2nc(OC)c(CN(Cc3ccccn3)Cc3cc4cc(OC)ccc4nc3OC)cc2c1.
What is the InChIKey of N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is UTAQSUFZJJWGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-35-25-8-10-27-20(15-25)13-22(29(32-27)37-3)17-34(19-24-7-5-6-12-31-24)18-23-14-21-16-26(36-2)9-11-28(21)33-30(23)38-4/h5-16H,17-19H2,1-4H3.
What are the key properties of N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 510.59 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2,6-dimethoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162675860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).