2-amino-2-quinolin-3-ylethanol;ethene

C13H16N2O — CID 142317274

IUPAC2-amino-2-quinolin-3-ylethanol;ethene
SMILESC=C.NC(CO)c1cnc2ccccc2c1
InChIInChI=1S/C11H12N2O.C2H4/c12-10(7-14)9-5-8-3-1-2-4-11(8)13-6-9;1-2/h1-6,10,14H,7,12H2;1-2H2
InChIKeyVLIDECFTSVJFLU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-2-quinolin-3-ylethanol;ethene

2-amino-2-quinolin-3-ylethanol;ethene (PubChem CID 142317274) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-2-quinolin-3-ylethanol;ethene.

Molecular Properties

Compound Name2-amino-2-quinolin-3-ylethanol;ethene
PubChem CID142317274
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-2-quinolin-3-ylethanol;ethene
SMILESC=C.NC(CO)c1cnc2ccccc2c1
InChIInChI=1S/C11H12N2O.C2H4/c12-10(7-14)9-5-8-3-1-2-4-11(8)13-6-9;1-2/h1-6,10,14H,7,12H2;1-2H2
InChIKeyVLIDECFTSVJFLU-UHFFFAOYSA-N
XLogP2.03
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-(4-chlorophenyl)-1-quinolin-3-ylethanamine
CID 60924752
2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
CID 66054039
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627
fluoro(quinolin-3-yl)methanol
CID 163892772
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
2-(oxolan-3-yl)-1-quinolin-3-ylethanamine
CID 113362099
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632
1-quinolin-3-ylbutan-1-ol
CID 60924193
2-quinolin-3-ylbutanamide
CID 154121490
2-phenyl-1-quinolin-3-ylbutan-1-amine
CID 115798275

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-quinolin-3-ylethanol;ethene?
The IUPAC name of 2-amino-2-quinolin-3-ylethanol;ethene (CID 142317274) is 2-amino-2-quinolin-3-ylethanol;ethene.
What is the SMILES notation for 2-amino-2-quinolin-3-ylethanol;ethene?
The canonical SMILES for 2-amino-2-quinolin-3-ylethanol;ethene is C=C.NC(CO)c1cnc2ccccc2c1.
What is the InChIKey of 2-amino-2-quinolin-3-ylethanol;ethene?
The InChIKey is VLIDECFTSVJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H4/c12-10(7-14)9-5-8-3-1-2-4-11(8)13-6-9;1-2/h1-6,10,14H,7,12H2;1-2H2.
What are the key properties of 2-amino-2-quinolin-3-ylethanol;ethene?
2-amino-2-quinolin-3-ylethanol;ethene has a molecular weight of 216.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-quinolin-3-ylethanol;ethene is sourced from PubChem (CID 142317274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).