N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine

C19H19ClN2O2 — CID 1467827

IUPACN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc3cc(OC)ccc3nc2Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-23-16-5-3-13(4-6-16)11-21-12-15-9-14-10-17(24-2)7-8-18(14)22-19(15)20/h3-10,21H,11-12H2,1-2H3
InChIKeyPHHNLALFOVFJEW-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.20
Rot. Bonds6

About N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 1467827) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID1467827
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2cc3cc(OC)ccc3nc2Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-23-16-5-3-13(4-6-16)11-21-12-15-9-14-10-17(24-2)7-8-18(14)22-19(15)20/h3-10,21H,11-12H2,1-2H3
InChIKeyPHHNLALFOVFJEW-UHFFFAOYSA-N
XLogP4.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine 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-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine (CID 1467827) is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2cc3cc(OC)ccc3nc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is PHHNLALFOVFJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-23-16-5-3-13(4-6-16)11-21-12-15-9-14-10-17(24-2)7-8-18(14)22-19(15)20/h3-10,21H,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 342.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 1467827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).