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

C19H25N — CID 142357463

IUPACethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
SMILESC/C=C\C(=C/C)c1cc(CC)c2ccccc2n1.CC
InChIInChI=1S/C17H19N.C2H6/c1-4-9-13(5-2)17-12-14(6-3)15-10-7-8-11-16(15)18-17;1-2/h4-5,7-12H,6H2,1-3H3;1-2H3/b9-4-,13-5+;
InChIKeyNAAQBTJDXDFAAO-UIMFZPGYSA-N
MW267.42 g/mol
LogP5.80
Rot. Bonds3

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

ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline (PubChem CID 142357463) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline.

Molecular Properties

Compound Nameethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
PubChem CID142357463
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Nameethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
SMILESC/C=C\C(=C/C)c1cc(CC)c2ccccc2n1.CC
InChIInChI=1S/C17H19N.C2H6/c1-4-9-13(5-2)17-12-14(6-3)15-10-7-8-11-16(15)18-17;1-2/h4-5,7-12H,6H2,1-3H3;1-2H3/b9-4-,13-5+;
InChIKeyNAAQBTJDXDFAAO-UIMFZPGYSA-N
XLogP5.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
CID 142357464
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-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
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

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
The IUPAC name of ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline (CID 142357463) is ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline.
What is the SMILES notation for ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
The canonical SMILES for ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline is C/C=C\C(=C/C)c1cc(CC)c2ccccc2n1.CC.
What is the InChIKey of ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
The InChIKey is NAAQBTJDXDFAAO-UIMFZPGYSA-N. The full InChI is InChI=1S/C17H19N.C2H6/c1-4-9-13(5-2)17-12-14(6-3)15-10-7-8-11-16(15)18-17;1-2/h4-5,7-12H,6H2,1-3H3;1-2H3/b9-4-,13-5+;.
What are the key properties of ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline?
ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline has a molecular weight of 267.42 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline is sourced from PubChem (CID 142357463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).