N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine

C15H19ClN2O — CID 11173508

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C15H19ClN2O/c1-10-4-5-12-8-13(9-17-6-7-19-3)15(16)18-14(12)11(10)2/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyYNAHNHKMABFOGT-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.24
Rot. Bonds5

About N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine (PubChem CID 11173508) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine
PubChem CID11173508
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc2ccc(C)c(C)c2nc1Cl
InChIInChI=1S/C15H19ClN2O/c1-10-4-5-12-8-13(9-17-6-7-19-3)15(16)18-14(12)11(10)2/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyYNAHNHKMABFOGT-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine (CID 11173508) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine is COCCNCc1cc2ccc(C)c(C)c2nc1Cl.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine?
The InChIKey is YNAHNHKMABFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10-4-5-12-8-13(9-17-6-7-19-3)15(16)18-14(12)11(10)2/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine?
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine has a molecular weight of 278.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 11173508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).