N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine

C19H21N3O — CID 162667364

IUPACN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CNCc1cccnc1
InChIInChI=1S/C19H21N3O/c1-13-7-14(2)17-9-16(19(23-3)22-18(17)8-13)12-21-11-15-5-4-6-20-10-15/h4-10,21H,11-12H2,1-3H3
InChIKeyVRODJLHJUSVQKG-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine

N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 162667364) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID162667364
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CNCc1cccnc1
InChIInChI=1S/C19H21N3O/c1-13-7-14(2)17-9-16(19(23-3)22-18(17)8-13)12-21-11-15-5-4-6-20-10-15/h4-10,21H,11-12H2,1-3H3
InChIKeyVRODJLHJUSVQKG-UHFFFAOYSA-N
XLogP3.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-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-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine (CID 162667364) is N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine is COc1nc2cc(C)cc(C)c2cc1CNCc1cccnc1.
What is the InChIKey of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is VRODJLHJUSVQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-7-14(2)17-9-16(19(23-3)22-18(17)8-13)12-21-11-15-5-4-6-20-10-15/h4-10,21H,11-12H2,1-3H3.
What are the key properties of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 162667364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).