(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide

C27H38N2O — CID 162681597

IUPAC(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C27H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-26(30)29-25-21-17-19-24-20-18-23-28-27(24)25/h6-7,9-10,17-21,23H,2-5,8,11-16,22H2,1H3,(H,29,30)/b7-6+,10-9+
InChIKeyKGXOHVCXOFCZKU-AVQMFFATSA-N
MW406.61 g/mol
LogP7.99
Rot. Bonds15

About (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide

(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide (PubChem CID 162681597) has the molecular formula C27H38N2O and a molecular weight of 406.61 g/mol. Its IUPAC name is (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
PubChem CID162681597
Molecular FormulaC27H38N2O
Molecular Weight406.61 g/mol
Exact Mass406.30
IUPAC Name(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C27H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-26(30)29-25-21-17-19-24-20-18-23-28-27(24)25/h6-7,9-10,17-21,23H,2-5,8,11-16,22H2,1H3,(H,29,30)/b7-6+,10-9+
InChIKeyKGXOHVCXOFCZKU-AVQMFFATSA-N
XLogP7.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.99
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

(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
N-quinolin-8-ylundecanamide
CID 3567928
(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide
CID 174987789
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514
N-quinolin-8-ylhex-3-enamide
CID 151663814
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
N-(2-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
CID 54249873
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
N-naphthalen-1-yldodecanamide
CID 588517
(Z)-N-pyren-1-yloctadec-9-enamide
CID 20836180
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237

Frequently Asked Questions

What is the IUPAC name of (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide?
The IUPAC name of (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide (CID 162681597) is (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide.
What is the SMILES notation for (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide?
The canonical SMILES for (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide is CCCCC/C=C/C/C=C/CCCCCCCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide?
The InChIKey is KGXOHVCXOFCZKU-AVQMFFATSA-N. The full InChI is InChI=1S/C27H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-26(30)29-25-21-17-19-24-20-18-23-28-27(24)25/h6-7,9-10,17-21,23H,2-5,8,11-16,22H2,1H3,(H,29,30)/b7-6+,10-9+.
What are the key properties of (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide?
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide has a molecular weight of 406.61 g/mol, XLogP of 7.99, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide is sourced from PubChem (CID 162681597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).