2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol

C15H17NO — CID 171517553

IUPAC2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol
SMILESC/C=C/C=C1/C=CN(CCO)c2ccccc21
InChIInChI=1S/C15H17NO/c1-2-3-6-13-9-10-16(11-12-17)15-8-5-4-7-14(13)15/h2-10,17H,11-12H2,1H3/b3-2+,13-6-
InChIKeyBXKBQNBFOSIJLD-XZDBPOMRSA-N
MW227.31 g/mol
LogP2.97
Rot. Bonds3

About 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol

2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol (PubChem CID 171517553) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol
PubChem CID171517553
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol
SMILESC/C=C/C=C1/C=CN(CCO)c2ccccc21
InChIInChI=1S/C15H17NO/c1-2-3-6-13-9-10-16(11-12-17)15-8-5-4-7-14(13)15/h2-10,17H,11-12H2,1H3/b3-2+,13-6-
InChIKeyBXKBQNBFOSIJLD-XZDBPOMRSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4Z)-4-[(2E,4E,6E)-7-[1-(2-hydroxyethyl)quinolin-1-ium-4-yl]hepta-2,4,6-trienylidene]quinolin-1-yl]ethanol;methyl hypochlorite
CID 171517562
2-[2-(1-prop-2-enylquinolin-4-ylidene)ethylidene]propanedinitrile
CID 789816
4-[2-(1-octadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 100982111
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid
CID 6443846
[1-methyl-4-[3-(1-methylquinolin-4-ylidene)prop-1-enyl]quinolin-1-ium-3-yl]methanol
CID 174145762
(2E)-2-[1-(5-hydroxypentyl)quinolin-4-ylidene]-1-indol-1-ylethanone
CID 170454105
dimethyl-[3-[(4Z)-4-[(Z)-3-(3-methyl-2H-1,3-benzoxazol-2-yl)prop-2-enylidene]quinolin-1-yl]propyl]-(2-sulfanylpropan-2-yl)azanium
CID 170248405
(4Z)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide
CID 6432453
2-[4-[(2Z)-1-cyano-2-(1-hexadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 177444113
(4E)-4-[(2E)-5,5-bis(trifluoromethylsulfonyl)penta-2,4-dienylidene]-1-methylquinoline
CID 87847399
4-[(4E)-4-[(E)-3-(4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)prop-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid
CID 20608369

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol?
The IUPAC name of 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol (CID 171517553) is 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol.
What is the SMILES notation for 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol?
The canonical SMILES for 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol is C/C=C/C=C1/C=CN(CCO)c2ccccc21.
What is the InChIKey of 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol?
The InChIKey is BXKBQNBFOSIJLD-XZDBPOMRSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-6-13-9-10-16(11-12-17)15-8-5-4-7-14(13)15/h2-10,17H,11-12H2,1H3/b3-2+,13-6-.
What are the key properties of 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol?
2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol has a molecular weight of 227.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(E)-but-2-enylidene]quinolin-1-yl]ethanol is sourced from PubChem (CID 171517553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).