N-octylquinoline-6-carboxamide

C18H24N2O — CID 68863650

IUPACN-octylquinoline-6-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C18H24N2O/c1-2-3-4-5-6-7-12-20-18(21)16-10-11-17-15(14-16)9-8-13-19-17/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)
InChIKeyYYGIKOHUCJLPCX-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.33
Rot. Bonds8

About N-octylquinoline-6-carboxamide

N-octylquinoline-6-carboxamide (PubChem CID 68863650) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-octylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-octylquinoline-6-carboxamide
PubChem CID68863650
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-octylquinoline-6-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C18H24N2O/c1-2-3-4-5-6-7-12-20-18(21)16-10-11-17-15(14-16)9-8-13-19-17/h8-11,13-14H,2-7,12H2,1H3,(H,20,21)
InChIKeyYYGIKOHUCJLPCX-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-pentylnaphthalene-2-carboxamide
CID 91722098
quinolin-6-yl N-hexylcarbamate
CID 11587138
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
3-hydroxy-N-octylbenzamide
CID 115568584
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430

Frequently Asked Questions

What is the IUPAC name of N-octylquinoline-6-carboxamide?
The IUPAC name of N-octylquinoline-6-carboxamide (CID 68863650) is N-octylquinoline-6-carboxamide.
What is the SMILES notation for N-octylquinoline-6-carboxamide?
The canonical SMILES for N-octylquinoline-6-carboxamide is CCCCCCCCNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-octylquinoline-6-carboxamide?
The InChIKey is YYGIKOHUCJLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-4-5-6-7-12-20-18(21)16-10-11-17-15(14-16)9-8-13-19-17/h8-11,13-14H,2-7,12H2,1H3,(H,20,21).
What are the key properties of N-octylquinoline-6-carboxamide?
N-octylquinoline-6-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylquinoline-6-carboxamide is sourced from PubChem (CID 68863650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).