5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine

C13H15ClN2O2 — CID 63696724

IUPAC5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
SMILESCOC(CNc1ccc(Cl)c2cccnc12)OC
InChIInChI=1S/C13H15ClN2O2/c1-17-12(18-2)8-16-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7,12,16H,8H2,1-2H3
InChIKeyLIVFEPALSXQKGT-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.92
Rot. Bonds5

About 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine

5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine (PubChem CID 63696724) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
PubChem CID63696724
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
SMILESCOC(CNc1ccc(Cl)c2cccnc12)OC
InChIInChI=1S/C13H15ClN2O2/c1-17-12(18-2)8-16-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7,12,16H,8H2,1-2H3
InChIKeyLIVFEPALSXQKGT-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine
CID 116783631
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
N-(2,2-dimethoxyethyl)-2-methylpyridin-3-amine
CID 79042345
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
1-[(5-chloroquinolin-8-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 116783900
1-[(5-chloroquinolin-8-yl)amino]-3-cyclopentylpropan-2-ol
CID 103158392
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine (CID 63696724) is 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine is COC(CNc1ccc(Cl)c2cccnc12)OC.
What is the InChIKey of 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine?
The InChIKey is LIVFEPALSXQKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-17-12(18-2)8-16-11-6-5-10(14)9-4-3-7-15-13(9)11/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine?
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine has a molecular weight of 266.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine is sourced from PubChem (CID 63696724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).