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

C26H20Cl2N4 — CID 162676374

IUPACN,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESClc1nc2ccccc2cc1CN(Cc1ccccn1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C26H20Cl2N4/c27-25-20(13-18-7-1-3-10-23(18)30-25)15-32(17-22-9-5-6-12-29-22)16-21-14-19-8-2-4-11-24(19)31-26(21)28/h1-14H,15-17H2
InChIKeyLWNUIOCBDLJVGS-UHFFFAOYSA-N
MW459.38 g/mol
LogP6.69
Rot. Bonds6

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

N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162676374) has the molecular formula C26H20Cl2N4 and a molecular weight of 459.38 g/mol. Its IUPAC name is N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162676374
Molecular FormulaC26H20Cl2N4
Molecular Weight459.38 g/mol
Exact Mass458.11
IUPAC NameN,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESClc1nc2ccccc2cc1CN(Cc1ccccn1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C26H20Cl2N4/c27-25-20(13-18-7-1-3-10-23(18)30-25)15-32(17-22-9-5-6-12-29-22)16-21-14-19-8-2-4-11-24(19)31-26(21)28/h1-14H,15-17H2
InChIKeyLWNUIOCBDLJVGS-UHFFFAOYSA-N
XLogP6.69
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N,N-bis[(2-chloroquinolin-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-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162676374) is N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is Clc1nc2ccccc2cc1CN(Cc1ccccn1)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is LWNUIOCBDLJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4/c27-25-20(13-18-7-1-3-10-23(18)30-25)15-32(17-22-9-5-6-12-29-22)16-21-14-19-8-2-4-11-24(19)31-26(21)28/h1-14H,15-17H2.
What are the key properties of N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 459.38 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-chloroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162676374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).