2-ethyl-N-quinolin-8-ylundecanamide

C22H32N2O — CID 72712401

IUPAC2-ethyl-N-quinolin-8-ylundecanamide
SMILESCCCCCCCCCC(CC)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H32N2O/c1-3-5-6-7-8-9-10-13-18(4-2)22(25)24-20-16-11-14-19-15-12-17-23-21(19)20/h11-12,14-18H,3-10,13H2,1-2H3,(H,24,25)
InChIKeyDHZMIBLWLMBZFJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.34
Rot. Bonds11

About 2-ethyl-N-quinolin-8-ylundecanamide

2-ethyl-N-quinolin-8-ylundecanamide (PubChem CID 72712401) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-ethyl-N-quinolin-8-ylundecanamide.

Molecular Properties

Compound Name2-ethyl-N-quinolin-8-ylundecanamide
PubChem CID72712401
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-ethyl-N-quinolin-8-ylundecanamide
SMILESCCCCCCCCCC(CC)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H32N2O/c1-3-5-6-7-8-9-10-13-18(4-2)22(25)24-20-16-11-14-19-15-12-17-23-21(19)20/h11-12,14-18H,3-10,13H2,1-2H3,(H,24,25)
InChIKeyDHZMIBLWLMBZFJ-UHFFFAOYSA-N
XLogP6.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.34
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-quinolin-8-ylundecanamide
CID 3567928
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
N-heptylquinolin-8-amine
CID 43130175
2-ethyl-N-(6-methoxy-1,5-naphthyridin-4-yl)nonanamide
CID 143637389
1-propyl-3-quinolin-8-ylurea
CID 13078451
2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
CID 175955746
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
CID 102129340
quinolin-8-yl 2-ethylhexanoate
CID 163430049

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-quinolin-8-ylundecanamide?
The IUPAC name of 2-ethyl-N-quinolin-8-ylundecanamide (CID 72712401) is 2-ethyl-N-quinolin-8-ylundecanamide.
What is the SMILES notation for 2-ethyl-N-quinolin-8-ylundecanamide?
The canonical SMILES for 2-ethyl-N-quinolin-8-ylundecanamide is CCCCCCCCCC(CC)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-ethyl-N-quinolin-8-ylundecanamide?
The InChIKey is DHZMIBLWLMBZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-3-5-6-7-8-9-10-13-18(4-2)22(25)24-20-16-11-14-19-15-12-17-23-21(19)20/h11-12,14-18H,3-10,13H2,1-2H3,(H,24,25).
What are the key properties of 2-ethyl-N-quinolin-8-ylundecanamide?
2-ethyl-N-quinolin-8-ylundecanamide has a molecular weight of 340.51 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-quinolin-8-ylundecanamide is sourced from PubChem (CID 72712401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).