2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide

C26H40N2O2 — CID 19027890

IUPAC2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide
SMILESCCCCCCCC(CCCCCCC)C(=O)Nc1c(OC)ccc2ncccc12
InChIInChI=1S/C26H40N2O2/c1-4-6-8-10-12-15-21(16-13-11-9-7-5-2)26(29)28-25-22-17-14-20-27-23(22)18-19-24(25)30-3/h14,17-21H,4-13,15-16H2,1-3H3,(H,28,29)
InChIKeyQQVCSRRNOFRNLP-UHFFFAOYSA-N
MW412.62 g/mol
LogP7.52
Rot. Bonds15

About 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide

2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide (PubChem CID 19027890) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide.

Molecular Properties

Compound Name2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide
PubChem CID19027890
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC Name2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide
SMILESCCCCCCCC(CCCCCCC)C(=O)Nc1c(OC)ccc2ncccc12
InChIInChI=1S/C26H40N2O2/c1-4-6-8-10-12-15-21(16-13-11-9-7-5-2)26(29)28-25-22-17-14-20-27-23(22)18-19-24(25)30-3/h14,17-21H,4-13,15-16H2,1-3H3,(H,28,29)
InChIKeyQQVCSRRNOFRNLP-UHFFFAOYSA-N
XLogP7.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 57.52
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

2-heptyl-N-(6-methoxyisoquinolin-5-yl)nonanamide
CID 19027898
N-(8-chloro-6-methoxyquinolin-5-yl)-2-hexyldecanethioamide
CID 54359362
4-fluoro-N-(6-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 139018600
2-ethyl-N-(6-methoxy-1,5-naphthyridin-4-yl)nonanamide
CID 143637389
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
2-hexyl-N-[6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-yl]decanethioamide
CID 54266598
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
2-(2-hexadecylicosanoylamino)benzoic acid
CID 70149182
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide?
The IUPAC name of 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide (CID 19027890) is 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide.
What is the SMILES notation for 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide?
The canonical SMILES for 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide is CCCCCCCC(CCCCCCC)C(=O)Nc1c(OC)ccc2ncccc12.
What is the InChIKey of 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide?
The InChIKey is QQVCSRRNOFRNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-4-6-8-10-12-15-21(16-13-11-9-7-5-2)26(29)28-25-22-17-14-20-27-23(22)18-19-24(25)30-3/h14,17-21H,4-13,15-16H2,1-3H3,(H,28,29).
What are the key properties of 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide?
2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide has a molecular weight of 412.62 g/mol, XLogP of 7.52, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-N-(6-methoxyquinolin-5-yl)nonanamide is sourced from PubChem (CID 19027890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).