4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide

C18H20N2O — CID 173330243

IUPAC4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide
SMILESCC=CC=CCc1nc2ccccc2c(CC)c1C(N)=O
InChIInChI=1S/C18H20N2O/c1-3-5-6-7-12-16-17(18(19)21)13(4-2)14-10-8-9-11-15(14)20-16/h3,5-11H,4,12H2,1-2H3,(H2,19,21)
InChIKeyCAPIXASLJJUWML-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.57
Rot. Bonds5

About 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide

4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide (PubChem CID 173330243) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide
PubChem CID173330243
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide
SMILESCC=CC=CCc1nc2ccccc2c(CC)c1C(N)=O
InChIInChI=1S/C18H20N2O/c1-3-5-6-7-12-16-17(18(19)21)13(4-2)14-10-8-9-11-15(14)20-16/h3,5-11H,4,12H2,1-2H3,(H2,19,21)
InChIKeyCAPIXASLJJUWML-UHFFFAOYSA-N
XLogP3.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
4-ethylquinazoline-2-carboxamide;dihydrochloride
CID 89487232
(3-ethyl-2-non-2-enylquinolin-4-yl) butanoate
CID 54268259
4-ethylquinoline-2-carboxamide
CID 174714299
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
4-ethyl-2-methylquinoline-3-carbaldehyde
CID 178074817
[(E)-but-2-enyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 55563291
N,3,4-triethyl-N-propylquinoline-2-carboxamide
CID 56994978
22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 129303440
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 3941582
3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
CID 154178448

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide?
The IUPAC name of 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide (CID 173330243) is 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide.
What is the SMILES notation for 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide?
The canonical SMILES for 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide is CC=CC=CCc1nc2ccccc2c(CC)c1C(N)=O.
What is the InChIKey of 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide?
The InChIKey is CAPIXASLJJUWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-5-6-7-12-16-17(18(19)21)13(4-2)14-10-8-9-11-15(14)20-16/h3,5-11H,4,12H2,1-2H3,(H2,19,21).
What are the key properties of 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide?
4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hexa-2,4-dienylquinoline-3-carboxamide is sourced from PubChem (CID 173330243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).