ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline

C18H23NO2 — CID 158903966

IUPACethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline
SMILESCC(C)(C)OCC#Cc1cnc2ccccc2c1.CCO
InChIInChI=1S/C16H17NO.C2H6O/c1-16(2,3)18-10-6-7-13-11-14-8-4-5-9-15(14)17-12-13;1-2-3/h4-5,8-9,11-12H,10H2,1-3H3;3H,2H2,1H3
InChIKeyJFUNWMUGPQINIC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds1

About ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline

ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline (PubChem CID 158903966) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline.

Molecular Properties

Compound Nameethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline
PubChem CID158903966
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline
SMILESCC(C)(C)OCC#Cc1cnc2ccccc2c1.CCO
InChIInChI=1S/C16H17NO.C2H6O/c1-16(2,3)18-10-6-7-13-11-14-8-4-5-9-15(14)17-12-13;1-2-3/h4-5,8-9,11-12H,10H2,1-3H3;3H,2H2,1H3
InChIKeyJFUNWMUGPQINIC-UHFFFAOYSA-N
XLogP3.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]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

3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline
CID 20737597
N-methyl-3-quinolin-3-ylprop-2-yn-1-amine
CID 114497793
methyl 4-quinolin-3-ylbut-3-ynoate
CID 170469663
3-quinolin-3-ylprop-2-ynyl N,N-di(propan-2-yl)carbamate
CID 66669552
3-quinolin-3-ylprop-2-ynyl N,N-dicyclohexylcarbamate
CID 11200137
4-methylbenzene-1,2-dithiolate;platinum(2+);3-(6-quinolin-3-ylhexa-1,5-diynyl)quinoline
CID 142014507
2,2-dimethyl-3-quinolin-3-yloxypropane-1-thiol
CID 107388367
tert-butyl N-(3-quinolin-6-ylprop-2-ynyl)carbamate
CID 11687791
2-quinolin-3-yloxyethanol
CID 102847036
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
3-prop-2-ynoxyquinoline
CID 102847055
N,2,2-trimethyl-3-quinolin-3-yloxypropan-1-amine
CID 107387869

Frequently Asked Questions

What is the IUPAC name of ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline?
The IUPAC name of ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline (CID 158903966) is ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline.
What is the SMILES notation for ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline?
The canonical SMILES for ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline is CC(C)(C)OCC#Cc1cnc2ccccc2c1.CCO.
What is the InChIKey of ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline?
The InChIKey is JFUNWMUGPQINIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C2H6O/c1-16(2,3)18-10-6-7-13-11-14-8-4-5-9-15(14)17-12-13;1-2-3/h4-5,8-9,11-12H,10H2,1-3H3;3H,2H2,1H3.
What are the key properties of ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline?
ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline has a molecular weight of 285.39 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]quinoline is sourced from PubChem (CID 158903966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).