(Z)-N-quinolin-2-yloctadec-9-enamide

C27H40N2O — CID 145189390

IUPAC(Z)-N-quinolin-2-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C27H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(30)29-26-23-22-24-19-17-18-20-25(24)28-26/h9-10,17-20,22-23H,2-8,11-16,21H2,1H3,(H,28,29,30)/b10-9-
InChIKeyJXJNLJLCNBMZMU-KTKRTIGZSA-N
MW408.63 g/mol
LogP8.21
Rot. Bonds16

About (Z)-N-quinolin-2-yloctadec-9-enamide

(Z)-N-quinolin-2-yloctadec-9-enamide (PubChem CID 145189390) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is (Z)-N-quinolin-2-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-quinolin-2-yloctadec-9-enamide
PubChem CID145189390
Molecular FormulaC27H40N2O
Molecular Weight408.63 g/mol
Exact Mass408.31
IUPAC Name(Z)-N-quinolin-2-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C27H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(30)29-26-23-22-24-19-17-18-20-25(24)28-26/h9-10,17-20,22-23H,2-8,11-16,21H2,1H3,(H,28,29,30)/b10-9-
InChIKeyJXJNLJLCNBMZMU-KTKRTIGZSA-N
XLogP8.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
(Z)-N-pyren-1-yloctadec-9-enamide
CID 20836180
N-dodecylquinolin-2-amine
CID 160510159
(Z)-N-[6-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-pyridinyl]octadec-9-enamide
CID 101362774
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596

Frequently Asked Questions

What is the IUPAC name of (Z)-N-quinolin-2-yloctadec-9-enamide?
The IUPAC name of (Z)-N-quinolin-2-yloctadec-9-enamide (CID 145189390) is (Z)-N-quinolin-2-yloctadec-9-enamide.
What is the SMILES notation for (Z)-N-quinolin-2-yloctadec-9-enamide?
The canonical SMILES for (Z)-N-quinolin-2-yloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of (Z)-N-quinolin-2-yloctadec-9-enamide?
The InChIKey is JXJNLJLCNBMZMU-KTKRTIGZSA-N. The full InChI is InChI=1S/C27H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(30)29-26-23-22-24-19-17-18-20-25(24)28-26/h9-10,17-20,22-23H,2-8,11-16,21H2,1H3,(H,28,29,30)/b10-9-.
What are the key properties of (Z)-N-quinolin-2-yloctadec-9-enamide?
(Z)-N-quinolin-2-yloctadec-9-enamide has a molecular weight of 408.63 g/mol, XLogP of 8.21, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-quinolin-2-yloctadec-9-enamide is sourced from PubChem (CID 145189390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).