3-(cyanomethyl)-N-quinolin-8-ylhexanamide

C17H19N3O — CID 132516611

IUPAC3-(cyanomethyl)-N-quinolin-8-ylhexanamide
SMILESCCCC(CC#N)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H19N3O/c1-2-5-13(9-10-18)12-16(21)20-15-8-3-6-14-7-4-11-19-17(14)15/h3-4,6-8,11,13H,2,5,9,12H2,1H3,(H,20,21)
InChIKeyHEFZXCUQKQPBBK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.89
Rot. Bonds6

About 3-(cyanomethyl)-N-quinolin-8-ylhexanamide

3-(cyanomethyl)-N-quinolin-8-ylhexanamide (PubChem CID 132516611) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-quinolin-8-ylhexanamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-quinolin-8-ylhexanamide
PubChem CID132516611
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(cyanomethyl)-N-quinolin-8-ylhexanamide
SMILESCCCC(CC#N)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H19N3O/c1-2-5-13(9-10-18)12-16(21)20-15-8-3-6-14-7-4-11-19-17(14)15/h3-4,6-8,11,13H,2,5,9,12H2,1H3,(H,20,21)
InChIKeyHEFZXCUQKQPBBK-UHFFFAOYSA-N
XLogP3.89
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
CID 163364528
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
6-phenyl-N-quinolin-8-yl-3-(trimethylsilylmethyl)hexanamide
CID 163364527
N-quinolin-8-ylundecanamide
CID 3567928
(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide
CID 155797475
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-quinolin-8-ylhex-3-enamide
CID 151663814
3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide
CID 163364486
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
1-propyl-3-quinolin-8-ylurea
CID 13078451
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-quinolin-8-ylhexanamide?
The IUPAC name of 3-(cyanomethyl)-N-quinolin-8-ylhexanamide (CID 132516611) is 3-(cyanomethyl)-N-quinolin-8-ylhexanamide.
What is the SMILES notation for 3-(cyanomethyl)-N-quinolin-8-ylhexanamide?
The canonical SMILES for 3-(cyanomethyl)-N-quinolin-8-ylhexanamide is CCCC(CC#N)CC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(cyanomethyl)-N-quinolin-8-ylhexanamide?
The InChIKey is HEFZXCUQKQPBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-5-13(9-10-18)12-16(21)20-15-8-3-6-14-7-4-11-19-17(14)15/h3-4,6-8,11,13H,2,5,9,12H2,1H3,(H,20,21).
What are the key properties of 3-(cyanomethyl)-N-quinolin-8-ylhexanamide?
3-(cyanomethyl)-N-quinolin-8-ylhexanamide has a molecular weight of 281.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-quinolin-8-ylhexanamide is sourced from PubChem (CID 132516611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).