ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate

C15H15NO2 — CID 11264981

IUPACethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
SMILESC#CCC1C=Cc2ccccc2N1C(=O)OCC
InChIInChI=1S/C15H15NO2/c1-3-7-13-11-10-12-8-5-6-9-14(12)16(13)15(17)18-4-2/h1,5-6,8-11,13H,4,7H2,2H3
InChIKeyCYXBBRXDUBYOKG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.07
Rot. Bonds2

About ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate

ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate (PubChem CID 11264981) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
PubChem CID11264981
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate
SMILESC#CCC1C=Cc2ccccc2N1C(=O)OCC
InChIInChI=1S/C15H15NO2/c1-3-7-13-11-10-12-8-5-6-9-14(12)16(13)15(17)18-4-2/h1,5-6,8-11,13H,4,7H2,2H3
InChIKeyCYXBBRXDUBYOKG-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-oxopropyl)-2H-quinoline-1-carboxylate
CID 10777673
ethyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 19849647
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)-2H-quinoline-1-carboxylate
CID 101357710
ethyl 2-(3-diazo-4-methoxy-2,4-dioxobutyl)-2H-quinoline-1-carboxylate
CID 101445569
diethyl 2-(1-ethoxycarbonyl-2H-quinolin-2-yl)-2-methylpropanedioate
CID 101357708
methyl (2S)-2-butyl-2H-quinoline-1-carboxylate
CID 102208485
2-methylpropyl 2-hydroxy-2H-quinoline-1-carboxylate
CID 141096762
ethyl (2R)-6-methyl-2-(4-methylphenyl)-2H-quinoline-1-carboxylate
CID 102220944
(E)-4-(1-methoxycarbonyl-2H-quinolin-2-yl)-3-methylbut-2-enoic acid
CID 11687850
(2S)-2-[(2S)-1-methoxycarbonyl-2H-quinolin-2-yl]propanoic acid
CID 102476884
methyl 4-(1-benzoyl-2H-quinolin-2-yl)-2-diazo-3-oxobutanoate
CID 101445565
ethyl (2S)-6-methyl-2-(4-phenylbut-1-ynyl)-2H-quinoline-1-carboxylate
CID 122452558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate (CID 11264981) is ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate is C#CCC1C=Cc2ccccc2N1C(=O)OCC.
What is the InChIKey of ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate?
The InChIKey is CYXBBRXDUBYOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-7-13-11-10-12-8-5-6-9-14(12)16(13)15(17)18-4-2/h1,5-6,8-11,13H,4,7H2,2H3.
What are the key properties of ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate?
ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-2-ynyl-2H-quinoline-1-carboxylate is sourced from PubChem (CID 11264981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).