N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine

C17H17N3O — CID 162654154

IUPACN-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1nc2ccccc2cc1CNCc1ccncc1
InChIInChI=1S/C17H17N3O/c1-21-17-15(10-14-4-2-3-5-16(14)20-17)12-19-11-13-6-8-18-9-7-13/h2-10,19H,11-12H2,1H3
InChIKeyDQJHNKQEFYSJSH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.93
Rot. Bonds5

About N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 162654154) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID162654154
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1nc2ccccc2cc1CNCc1ccncc1
InChIInChI=1S/C17H17N3O/c1-21-17-15(10-14-4-2-3-5-16(14)20-17)12-19-11-13-6-8-18-9-7-13/h2-10,19H,11-12H2,1H3
InChIKeyDQJHNKQEFYSJSH-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine (CID 162654154) is N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine is COc1nc2ccccc2cc1CNCc1ccncc1.
What is the InChIKey of N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is DQJHNKQEFYSJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-15(10-14-4-2-3-5-16(14)20-17)12-19-11-13-6-8-18-9-7-13/h2-10,19H,11-12H2,1H3.
What are the key properties of N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 162654154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).