N-(2-methoxyethoxy)quinoline-2-carboxamide

C13H14N2O3 — CID 79676009

IUPACN-(2-methoxyethoxy)quinoline-2-carboxamide
SMILESCOCCONC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C13H14N2O3/c1-17-8-9-18-15-13(16)12-7-6-10-4-2-3-5-11(10)14-12/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyCVNDKRPAUQYZAD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.54
Rot. Bonds5

About N-(2-methoxyethoxy)quinoline-2-carboxamide

N-(2-methoxyethoxy)quinoline-2-carboxamide (PubChem CID 79676009) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-methoxyethoxy)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)quinoline-2-carboxamide
PubChem CID79676009
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2-methoxyethoxy)quinoline-2-carboxamide
SMILESCOCCONC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C13H14N2O3/c1-17-8-9-18-15-13(16)12-7-6-10-4-2-3-5-11(10)14-12/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyCVNDKRPAUQYZAD-UHFFFAOYSA-N
XLogP1.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N'-(2-methoxyethyl)quinoline-2-carboximidamide
CID 63222826
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)quinoline-2-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)quinoline-2-carboxamide (CID 79676009) is N-(2-methoxyethoxy)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)quinoline-2-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)quinoline-2-carboxamide is COCCONC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-methoxyethoxy)quinoline-2-carboxamide?
The InChIKey is CVNDKRPAUQYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-8-9-18-15-13(16)12-7-6-10-4-2-3-5-11(10)14-12/h2-7H,8-9H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethoxy)quinoline-2-carboxamide?
N-(2-methoxyethoxy)quinoline-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)quinoline-2-carboxamide is sourced from PubChem (CID 79676009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).