(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide

C25H34N2O — CID 174987789

IUPAC(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide
SMILESCCC=C(C/C=C/CCCCCC)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C25H34N2O/c1-3-5-6-7-8-9-10-14-21(13-4-2)18-19-24(28)27-23-17-11-15-22-16-12-20-26-25(22)23/h9-13,15-17,20H,3-8,14,18-19H2,1-2H3,(H,27,28)/b10-9+,21-13?
InChIKeyRNCKTNQMXHQZNM-PXXYWNIOSA-N
MW378.56 g/mol
LogP7.21
Rot. Bonds12

About (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide

(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide (PubChem CID 174987789) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide.

Molecular Properties

Compound Name(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide
PubChem CID174987789
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide
SMILESCCC=C(C/C=C/CCCCCC)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C25H34N2O/c1-3-5-6-7-8-9-10-14-21(13-4-2)18-19-24(28)27-23-17-11-15-22-16-12-20-26-25(22)23/h9-13,15-17,20H,3-8,14,18-19H2,1-2H3,(H,27,28)/b10-9+,21-13?
InChIKeyRNCKTNQMXHQZNM-PXXYWNIOSA-N
XLogP7.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.21
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

(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
N-quinolin-8-ylundecanamide
CID 3567928
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936

Frequently Asked Questions

What is the IUPAC name of (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide?
The IUPAC name of (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide (CID 174987789) is (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide.
What is the SMILES notation for (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide?
The canonical SMILES for (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide is CCC=C(C/C=C/CCCCCC)CCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide?
The InChIKey is RNCKTNQMXHQZNM-PXXYWNIOSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-5-6-7-8-9-10-14-21(13-4-2)18-19-24(28)27-23-17-11-15-22-16-12-20-26-25(22)23/h9-13,15-17,20H,3-8,14,18-19H2,1-2H3,(H,27,28)/b10-9+,21-13?.
What are the key properties of (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide?
(E)-4-propylidene-N-quinolin-8-yltridec-6-enamide has a molecular weight of 378.56 g/mol, XLogP of 7.21, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-propylidene-N-quinolin-8-yltridec-6-enamide is sourced from PubChem (CID 174987789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).