1-(methylamino)ethyl quinoline-7-carboxylate

C13H14N2O2 — CID 141347103

IUPAC1-(methylamino)ethyl quinoline-7-carboxylate
SMILESCNC(C)OC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C13H14N2O2/c1-9(14-2)17-13(16)11-6-5-10-4-3-7-15-12(10)8-11/h3-9,14H,1-2H3
InChIKeySJUCVEUUKWNHDX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.96
Rot. Bonds3

About 1-(methylamino)ethyl quinoline-7-carboxylate

1-(methylamino)ethyl quinoline-7-carboxylate (PubChem CID 141347103) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(methylamino)ethyl quinoline-7-carboxylate.

Molecular Properties

Compound Name1-(methylamino)ethyl quinoline-7-carboxylate
PubChem CID141347103
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(methylamino)ethyl quinoline-7-carboxylate
SMILESCNC(C)OC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C13H14N2O2/c1-9(14-2)17-13(16)11-6-5-10-4-3-7-15-12(10)8-11/h3-9,14H,1-2H3
InChIKeySJUCVEUUKWNHDX-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.96
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

quinolin-7-yl quinoline-7-carboxylate
CID 142797869
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
2-(prop-2-ynylamino)-1-quinolin-7-ylethanone
CID 116589414
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
N-(hydroxymethyl)-2-methylbutanamide;quinoline-7-carboxylic acid
CID 70237798
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
CID 162199187
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
CID 116567245
1-(4-quinolin-7-yloxyphenyl)ethanone
CID 107313857
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)ethyl quinoline-7-carboxylate?
The IUPAC name of 1-(methylamino)ethyl quinoline-7-carboxylate (CID 141347103) is 1-(methylamino)ethyl quinoline-7-carboxylate.
What is the SMILES notation for 1-(methylamino)ethyl quinoline-7-carboxylate?
The canonical SMILES for 1-(methylamino)ethyl quinoline-7-carboxylate is CNC(C)OC(=O)c1ccc2cccnc2c1.
What is the InChIKey of 1-(methylamino)ethyl quinoline-7-carboxylate?
The InChIKey is SJUCVEUUKWNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(14-2)17-13(16)11-6-5-10-4-3-7-15-12(10)8-11/h3-9,14H,1-2H3.
What are the key properties of 1-(methylamino)ethyl quinoline-7-carboxylate?
1-(methylamino)ethyl quinoline-7-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)ethyl quinoline-7-carboxylate is sourced from PubChem (CID 141347103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).