4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol

C17H11NO2 — CID 135524856

IUPAC4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol
SMILESC#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12
InChIInChI=1S/C17H11NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h1,3-10,19-20H
InChIKeyLZRCWCHYOCKNED-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.29
Rot. Bonds1

About 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol

4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol (PubChem CID 135524856) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol.

Molecular Properties

Compound Name4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol
PubChem CID135524856
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol
SMILESC#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12
InChIInChI=1S/C17H11NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h1,3-10,19-20H
InChIKeyLZRCWCHYOCKNED-UHFFFAOYSA-N
XLogP3.29
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
CID 3077884
9-Amino-2-hydroxyacridine
CID 23520
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
5-Bromo-2-(4-hydroxy-phenyl)-quinolin-6-ol
CID 135421237
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol
CID 135453199
4-Bromo-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135454802
5-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol
CID 135502634
4-Chloro-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135519319
2-(4-Hydroxy-phenyl)-quinolin-6-ol
CID 135987619
Quininib
CID 135411330

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol?
The IUPAC name of 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol (CID 135524856) is 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol.
What is the SMILES notation for 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol?
The canonical SMILES for 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol is C#Cc1cc(-c2ccc(O)cc2)nc2ccc(O)cc12.
What is the InChIKey of 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol?
The InChIKey is LZRCWCHYOCKNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h1,3-10,19-20H.
What are the key properties of 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol?
4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol has a molecular weight of 261.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol is sourced from PubChem (CID 135524856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).