N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine

C16H21ClN2O — CID 60921581

IUPACN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1cc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C16H21ClN2O/c1-4-8-19(5-2)11-13-9-12-6-7-14(20-3)10-15(12)18-16(13)17/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyIDVZPUREECTBFA-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.13
Rot. Bonds6

About N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine (PubChem CID 60921581) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
PubChem CID60921581
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1cc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C16H21ClN2O/c1-4-8-19(5-2)11-13-9-12-6-7-14(20-3)10-15(12)18-16(13)17/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyIDVZPUREECTBFA-UHFFFAOYSA-N
XLogP4.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.13
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

N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 16608746
3-[[ethyl(2-methoxyethyl)amino]methyl]-7-methoxyquinolin-2-amine
CID 62208238
3-[(2-amino-7-methoxyquinolin-3-yl)methyl-ethylamino]propanenitrile
CID 62208226
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 16567666
N-ethyl-N-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methyl]ethanamine
CID 62244421
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
2-chloro-7-methoxy-3-(prop-2-enoxymethyl)quinoline
CID 54939655
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 16567687
2-chloro-6-methoxy-3-propylquinoline
CID 63231530
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
3-[(2-chloro-7-methoxyquinolin-3-yl)methylsulfanyl]butan-2-ol
CID 103706012
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine (CID 60921581) is N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine is CCCN(CC)Cc1cc2ccc(OC)cc2nc1Cl.
What is the InChIKey of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine?
The InChIKey is IDVZPUREECTBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-4-8-19(5-2)11-13-9-12-6-7-14(20-3)10-15(12)18-16(13)17/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine?
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 60921581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).