2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid

C13H13ClN2O3 — CID 174166475

IUPAC2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid
SMILESCN(CCOc1ccc2c(Cl)ccnc2c1)C(=O)O
InChIInChI=1S/C13H13ClN2O3/c1-16(13(17)18)6-7-19-9-2-3-10-11(14)4-5-15-12(10)8-9/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyGNYPKKHXKIPJIM-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid

2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid (PubChem CID 174166475) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid
PubChem CID174166475
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid
SMILESCN(CCOc1ccc2c(Cl)ccnc2c1)C(=O)O
InChIInChI=1S/C13H13ClN2O3/c1-16(13(17)18)6-7-19-9-2-3-10-11(14)4-5-15-12(10)8-9/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyGNYPKKHXKIPJIM-UHFFFAOYSA-N
XLogP2.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloroquinolin-7-yl)oxyethylamino]ethyl-methylcarbamic acid
CID 174166411
3-[2-(4-chloroquinolin-7-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-methylcarbamic acid
CID 174166465
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
4-chloro-7-hexoxyquinoline
CID 78323998
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
CID 146277523
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
4-chloro-N,N-dimethylquinoline-7-carboxamide
CID 67304635
4-chloro-7-(1-phenylethoxy)quinoline
CID 141359583
ethyl (E)-3-(4-chloroquinolin-7-yl)prop-2-enoate
CID 169268161
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid?
The IUPAC name of 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid (CID 174166475) is 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid.
What is the SMILES notation for 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid?
The canonical SMILES for 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid is CN(CCOc1ccc2c(Cl)ccnc2c1)C(=O)O.
What is the InChIKey of 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid?
The InChIKey is GNYPKKHXKIPJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16(13(17)18)6-7-19-9-2-3-10-11(14)4-5-15-12(10)8-9/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid?
2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid has a molecular weight of 280.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid is sourced from PubChem (CID 174166475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).