N-(2-oxoethyl)quinoline-2-carboxamide

C12H10N2O2 — CID 134322736

IUPACN-(2-oxoethyl)quinoline-2-carboxamide
SMILESO=CCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C12H10N2O2/c15-8-7-13-12(16)11-6-5-9-3-1-2-4-10(9)14-11/h1-6,8H,7H2,(H,13,16)
InChIKeyDCVKXMBFVVOQQZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.16
Rot. Bonds3

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

N-(2-oxoethyl)quinoline-2-carboxamide (PubChem CID 134322736) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2-oxoethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoethyl)quinoline-2-carboxamide
PubChem CID134322736
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC NameN-(2-oxoethyl)quinoline-2-carboxamide
SMILESO=CCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C12H10N2O2/c15-8-7-13-12(16)11-6-5-9-3-1-2-4-10(9)14-11/h1-6,8H,7H2,(H,13,16)
InChIKeyDCVKXMBFVVOQQZ-UHFFFAOYSA-N
XLogP1.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)quinoline-2-carboxamide?
The IUPAC name of N-(2-oxoethyl)quinoline-2-carboxamide (CID 134322736) is N-(2-oxoethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-oxoethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-oxoethyl)quinoline-2-carboxamide is O=CCNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-oxoethyl)quinoline-2-carboxamide?
The InChIKey is DCVKXMBFVVOQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-8-7-13-12(16)11-6-5-9-3-1-2-4-10(9)14-11/h1-6,8H,7H2,(H,13,16).
What are the key properties of N-(2-oxoethyl)quinoline-2-carboxamide?
N-(2-oxoethyl)quinoline-2-carboxamide has a molecular weight of 214.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)quinoline-2-carboxamide is sourced from PubChem (CID 134322736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).