4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline

C17H19N — CID 142357464

IUPAC4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
SMILESC/C=C\C(=C/C)c1cc(CC)c2ccccc2n1
InChIInChI=1S/C17H19N/c1-4-9-13(5-2)17-12-14(6-3)15-10-7-8-11-16(15)18-17/h4-5,7-12H,6H2,1-3H3/b9-4-,13-5+
InChIKeyLFZHGSYKPRJCPI-SMFODQAKSA-N
MW237.35 g/mol
LogP4.78
Rot. Bonds3

About 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline

4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline (PubChem CID 142357464) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline.

Molecular Properties

Compound Name4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
PubChem CID142357464
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
SMILESC/C=C\C(=C/C)c1cc(CC)c2ccccc2n1
InChIInChI=1S/C17H19N/c1-4-9-13(5-2)17-12-14(6-3)15-10-7-8-11-16(15)18-17/h4-5,7-12H,6H2,1-3H3/b9-4-,13-5+
InChIKeyLFZHGSYKPRJCPI-SMFODQAKSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
CID 142357463
4-ethylquinoline-2-carboxamide
CID 174714299
4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide
CID 143052135
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
CID 157400114
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline
CID 142151113
4-ethyl-2-hexylquinoline
CID 143260250
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
4-ethyl-2-methylquinoline-3-carbaldehyde
CID 178074817

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
The IUPAC name of 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline (CID 142357464) is 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline.
What is the SMILES notation for 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
The canonical SMILES for 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline is C/C=C\C(=C/C)c1cc(CC)c2ccccc2n1.
What is the InChIKey of 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
The InChIKey is LFZHGSYKPRJCPI-SMFODQAKSA-N. The full InChI is InChI=1S/C17H19N/c1-4-9-13(5-2)17-12-14(6-3)15-10-7-8-11-16(15)18-17/h4-5,7-12H,6H2,1-3H3/b9-4-,13-5+.
What are the key properties of 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline has a molecular weight of 237.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline is sourced from PubChem (CID 142357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).