6-(1,2-dimethoxyethyl)quinoline-4-carboxamide

C14H16N2O3 — CID 175960443

IUPAC6-(1,2-dimethoxyethyl)quinoline-4-carboxamide
SMILESCOCC(OC)c1ccc2nccc(C(N)=O)c2c1
InChIInChI=1S/C14H16N2O3/c1-18-8-13(19-2)9-3-4-12-11(7-9)10(14(15)17)5-6-16-12/h3-7,13H,8H2,1-2H3,(H2,15,17)
InChIKeyOLWSWERZRFKYOC-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.67
Rot. Bonds5

About 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide

6-(1,2-dimethoxyethyl)quinoline-4-carboxamide (PubChem CID 175960443) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(1,2-dimethoxyethyl)quinoline-4-carboxamide
PubChem CID175960443
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-(1,2-dimethoxyethyl)quinoline-4-carboxamide
SMILESCOCC(OC)c1ccc2nccc(C(N)=O)c2c1
InChIInChI=1S/C14H16N2O3/c1-18-8-13(19-2)9-3-4-12-11(7-9)10(14(15)17)5-6-16-12/h3-7,13H,8H2,1-2H3,(H2,15,17)
InChIKeyOLWSWERZRFKYOC-UHFFFAOYSA-N
XLogP1.67
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide?
The IUPAC name of 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide (CID 175960443) is 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide is COCC(OC)c1ccc2nccc(C(N)=O)c2c1.
What is the InChIKey of 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide?
The InChIKey is OLWSWERZRFKYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-8-13(19-2)9-3-4-12-11(7-9)10(14(15)17)5-6-16-12/h3-7,13H,8H2,1-2H3,(H2,15,17).
What are the key properties of 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide?
6-(1,2-dimethoxyethyl)quinoline-4-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dimethoxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 175960443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).