1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine

C12H13ClN2O — CID 112686388

IUPAC1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H13ClN2O/c1-2-16-15-8-9-5-6-11(13)10-4-3-7-14-12(9)10/h3-7,15H,2,8H2,1H3
InChIKeyJOCBCRUSQIODKW-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.93
Rot. Bonds4

About 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine

1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine (PubChem CID 112686388) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
PubChem CID112686388
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H13ClN2O/c1-2-16-15-8-9-5-6-11(13)10-4-3-7-14-12(9)10/h3-7,15H,2,8H2,1H3
InChIKeyJOCBCRUSQIODKW-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-1-ethoxypropan-2-amine
CID 112699454
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
N-[(5-chloroquinolin-8-yl)methyl]-4-methylhexan-2-amine
CID 115959389
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
(2R)-N-[(5-chloroquinolin-8-yl)methyl]-1,1,1-trifluoro-2-methylbutan-2-amine
CID 95785918
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine (CID 112686388) is 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine is CCONCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine?
The InChIKey is JOCBCRUSQIODKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-16-15-8-9-5-6-11(13)10-4-3-7-14-12(9)10/h3-7,15H,2,8H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine?
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine has a molecular weight of 236.70 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine is sourced from PubChem (CID 112686388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).