N-(3-cyanopropyl)quinoline-6-carboxamide

C14H13N3O — CID 55126884

IUPACN-(3-cyanopropyl)quinoline-6-carboxamide
SMILESN#CCCCNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H13N3O/c15-7-1-2-8-17-14(18)12-5-6-13-11(10-12)4-3-9-16-13/h3-6,9-10H,1-2,8H2,(H,17,18)
InChIKeyOLJNSJAWJQKLCV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.27
Rot. Bonds4

About N-(3-cyanopropyl)quinoline-6-carboxamide

N-(3-cyanopropyl)quinoline-6-carboxamide (PubChem CID 55126884) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-cyanopropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)quinoline-6-carboxamide
PubChem CID55126884
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(3-cyanopropyl)quinoline-6-carboxamide
SMILESN#CCCCNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H13N3O/c15-7-1-2-8-17-14(18)12-5-6-13-11(10-12)4-3-9-16-13/h3-6,9-10H,1-2,8H2,(H,17,18)
InChIKeyOLJNSJAWJQKLCV-UHFFFAOYSA-N
XLogP2.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octylquinoline-6-carboxamide
CID 68863650
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430
N-(3-cyanopropyl)benzamide
CID 62666234
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)quinoline-6-carboxamide?
The IUPAC name of N-(3-cyanopropyl)quinoline-6-carboxamide (CID 55126884) is N-(3-cyanopropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)quinoline-6-carboxamide is N#CCCCNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(3-cyanopropyl)quinoline-6-carboxamide?
The InChIKey is OLJNSJAWJQKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-7-1-2-8-17-14(18)12-5-6-13-11(10-12)4-3-9-16-13/h3-6,9-10H,1-2,8H2,(H,17,18).
What are the key properties of N-(3-cyanopropyl)quinoline-6-carboxamide?
N-(3-cyanopropyl)quinoline-6-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)quinoline-6-carboxamide is sourced from PubChem (CID 55126884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).