3-[(3-cyanoquinolin-4-yl)amino]propanamide

C13H12N4O — CID 43669033

IUPAC3-[(3-cyanoquinolin-4-yl)amino]propanamide
SMILESN#Cc1cnc2ccccc2c1NCCC(N)=O
InChIInChI=1S/C13H12N4O/c14-7-9-8-17-11-4-2-1-3-10(11)13(9)16-6-5-12(15)18/h1-4,8H,5-6H2,(H2,15,18)(H,16,17)
InChIKeyVBSVYXPQRAXXGI-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.39
Rot. Bonds4

About 3-[(3-cyanoquinolin-4-yl)amino]propanamide

3-[(3-cyanoquinolin-4-yl)amino]propanamide (PubChem CID 43669033) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(3-cyanoquinolin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-cyanoquinolin-4-yl)amino]propanamide
PubChem CID43669033
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[(3-cyanoquinolin-4-yl)amino]propanamide
SMILESN#Cc1cnc2ccccc2c1NCCC(N)=O
InChIInChI=1S/C13H12N4O/c14-7-9-8-17-11-4-2-1-3-10(11)13(9)16-6-5-12(15)18/h1-4,8H,5-6H2,(H2,15,18)(H,16,17)
InChIKeyVBSVYXPQRAXXGI-UHFFFAOYSA-N
XLogP1.39
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
3-[(3-nitroquinolin-4-yl)amino]propanamide
CID 103963977
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]quinoline-3-carbonitrile
CID 133354904
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
4-[(3-cyanoquinolin-4-yl)amino]-4-methylpentanoic acid
CID 62042866
2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115649355

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanoquinolin-4-yl)amino]propanamide?
The IUPAC name of 3-[(3-cyanoquinolin-4-yl)amino]propanamide (CID 43669033) is 3-[(3-cyanoquinolin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(3-cyanoquinolin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(3-cyanoquinolin-4-yl)amino]propanamide is N#Cc1cnc2ccccc2c1NCCC(N)=O.
What is the InChIKey of 3-[(3-cyanoquinolin-4-yl)amino]propanamide?
The InChIKey is VBSVYXPQRAXXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-7-9-8-17-11-4-2-1-3-10(11)13(9)16-6-5-12(15)18/h1-4,8H,5-6H2,(H2,15,18)(H,16,17).
What are the key properties of 3-[(3-cyanoquinolin-4-yl)amino]propanamide?
3-[(3-cyanoquinolin-4-yl)amino]propanamide has a molecular weight of 240.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanoquinolin-4-yl)amino]propanamide is sourced from PubChem (CID 43669033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).