N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine

C15H19ClN2O — CID 61447959

IUPACN-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2O/c1-3-18(8-9-19-2)11-13-10-12-6-4-5-7-14(12)17-15(13)16/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyZEGCBTRCOATSCI-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.36
Rot. Bonds6

About N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine

N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 61447959) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
PubChem CID61447959
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C15H19ClN2O/c1-3-18(8-9-19-2)11-13-10-12-6-4-5-7-14(12)17-15(13)16/h4-7,10H,3,8-9,11H2,1-2H3
InChIKeyZEGCBTRCOATSCI-UHFFFAOYSA-N
XLogP3.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
CID 60921581
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 91774737
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
(2-chloroquinolin-3-yl)methanamine
CID 71748539
N-[(2-chloroquinolin-3-yl)methyl]-N,2-dimethylpropan-1-amine
CID 54938310
3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine
CID 62209123
N-ethyl-2-methoxy-N-[(5-methyl-2-phenylphenyl)methyl]ethanamine
CID 70967427
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine (CID 61447959) is N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is ZEGCBTRCOATSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-18(8-9-19-2)11-13-10-12-6-4-5-7-14(12)17-15(13)16/h4-7,10H,3,8-9,11H2,1-2H3.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine?
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 278.78 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 61447959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).