N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide

C13H11N3O2 — CID 170632306

IUPACN-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide
SMILESN#CC(Cc1cc2ccccc2[nH]c1=O)NC=O
InChIInChI=1S/C13H11N3O2/c14-7-11(15-8-17)6-10-5-9-3-1-2-4-12(9)16-13(10)18/h1-5,8,11H,6H2,(H,15,17)(H,16,18)
InChIKeyHNAUKVOTWGUDAT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.71
Rot. Bonds4

About N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide

N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide (PubChem CID 170632306) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide
PubChem CID170632306
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide
SMILESN#CC(Cc1cc2ccccc2[nH]c1=O)NC=O
InChIInChI=1S/C13H11N3O2/c14-7-11(15-8-17)6-10-5-9-3-1-2-4-12(9)16-13(10)18/h1-5,8,11H,6H2,(H,15,17)(H,16,18)
InChIKeyHNAUKVOTWGUDAT-UHFFFAOYSA-N
XLogP0.71
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(methylamino)-3-(2-oxo-1H-1,6-naphthyridin-3-yl)propanenitrile
CID 170631767
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
N-[1-(2-oxo-1H-quinolin-3-yl)ethenyl]formamide
CID 54094719
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110406225
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55485654
3-[[[4-(diethylaminomethyl)phenyl]methylamino]methyl]-1H-quinolin-2-one
CID 119136099

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide?
The IUPAC name of N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide (CID 170632306) is N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide.
What is the SMILES notation for N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide?
The canonical SMILES for N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide is N#CC(Cc1cc2ccccc2[nH]c1=O)NC=O.
What is the InChIKey of N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide?
The InChIKey is HNAUKVOTWGUDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-7-11(15-8-17)6-10-5-9-3-1-2-4-12(9)16-13(10)18/h1-5,8,11H,6H2,(H,15,17)(H,16,18).
What are the key properties of N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide?
N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide has a molecular weight of 241.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(2-oxo-1H-quinolin-3-yl)ethyl]formamide is sourced from PubChem (CID 170632306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).