(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide

C26H30N2O — CID 155797475

IUPAC(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide
SMILESCCCC(C/C=C/Cc1ccccc1)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C26H30N2O/c1-2-10-21(13-6-7-14-22-11-4-3-5-12-22)18-19-25(29)28-24-17-8-15-23-16-9-20-27-26(23)24/h3-9,11-12,15-17,20-21H,2,10,13-14,18-19H2,1H3,(H,28,29)/b7-6+
InChIKeyKLNDCQISCJUPRN-VOTSOKGWSA-N
MW386.54 g/mol
LogP6.56
Rot. Bonds10

About (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide

(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide (PubChem CID 155797475) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide.

Molecular Properties

Compound Name(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide
PubChem CID155797475
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide
SMILESCCCC(C/C=C/Cc1ccccc1)CCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C26H30N2O/c1-2-10-21(13-6-7-14-22-11-4-3-5-12-22)18-19-25(29)28-24-17-8-15-23-16-9-20-27-26(23)24/h3-9,11-12,15-17,20-21H,2,10,13-14,18-19H2,1H3,(H,28,29)/b7-6+
InChIKeyKLNDCQISCJUPRN-VOTSOKGWSA-N
XLogP6.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-ylundecanamide
CID 3567928
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
3-(cyanomethyl)-N-quinolin-8-ylhexanamide
CID 132516611
5-[dimethyl(phenyl)silyl]-4-methyl-N-quinolin-8-ylpentanamide
CID 163364489
N-quinolin-8-ylhex-3-enamide
CID 151663814
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
4-(2-chlorophenyl)-N-quinolin-8-ylpentanamide
CID 121339507
3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
CID 163364528
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169

Frequently Asked Questions

What is the IUPAC name of (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide?
The IUPAC name of (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide (CID 155797475) is (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide.
What is the SMILES notation for (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide?
The canonical SMILES for (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide is CCCC(C/C=C/Cc1ccccc1)CCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide?
The InChIKey is KLNDCQISCJUPRN-VOTSOKGWSA-N. The full InChI is InChI=1S/C26H30N2O/c1-2-10-21(13-6-7-14-22-11-4-3-5-12-22)18-19-25(29)28-24-17-8-15-23-16-9-20-27-26(23)24/h3-9,11-12,15-17,20-21H,2,10,13-14,18-19H2,1H3,(H,28,29)/b7-6+.
What are the key properties of (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide?
(E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide has a molecular weight of 386.54 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-phenyl-4-propyl-N-quinolin-8-yloct-6-enamide is sourced from PubChem (CID 155797475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).