8-hydroxysulfanyl-4-methoxyquinoline

C10H9NO2S — CID 176668017

IUPAC8-hydroxysulfanyl-4-methoxyquinoline
SMILESCOc1ccnc2c(SO)cccc12
InChIInChI=1S/C10H9NO2S/c1-13-8-5-6-11-10-7(8)3-2-4-9(10)14-12/h2-6,12H,1H3
InChIKeyUURKRTVRDOJWQQ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.81
Rot. Bonds2

About 8-hydroxysulfanyl-4-methoxyquinoline

8-hydroxysulfanyl-4-methoxyquinoline (PubChem CID 176668017) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 8-hydroxysulfanyl-4-methoxyquinoline.

Molecular Properties

Compound Name8-hydroxysulfanyl-4-methoxyquinoline
PubChem CID176668017
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name8-hydroxysulfanyl-4-methoxyquinoline
SMILESCOc1ccnc2c(SO)cccc12
InChIInChI=1S/C10H9NO2S/c1-13-8-5-6-11-10-7(8)3-2-4-9(10)14-12/h2-6,12H,1H3
InChIKeyUURKRTVRDOJWQQ-UHFFFAOYSA-N
XLogP2.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-8-methylquinolin-7-ol
CID 143166925
4-methoxyquinoline-8-carbaldehyde
CID 171397329
(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
(8-methoxyquinolin-4-yl)methanol
CID 86714571
N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide
CID 75396693
5-methoxy-1,7-phenanthroline
CID 67576947
CID 88936748
CID 88936748
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
4-methoxyquinolin-5-ol
CID 137240019
(4,7-dimethoxy-1,10-phenanthrolin-2-yl)methanol
CID 175318879
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
4-propan-2-yloxyquinolin-8-amine
CID 83060477

Frequently Asked Questions

What is the IUPAC name of 8-hydroxysulfanyl-4-methoxyquinoline?
The IUPAC name of 8-hydroxysulfanyl-4-methoxyquinoline (CID 176668017) is 8-hydroxysulfanyl-4-methoxyquinoline.
What is the SMILES notation for 8-hydroxysulfanyl-4-methoxyquinoline?
The canonical SMILES for 8-hydroxysulfanyl-4-methoxyquinoline is COc1ccnc2c(SO)cccc12.
What is the InChIKey of 8-hydroxysulfanyl-4-methoxyquinoline?
The InChIKey is UURKRTVRDOJWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-13-8-5-6-11-10-7(8)3-2-4-9(10)14-12/h2-6,12H,1H3.
What are the key properties of 8-hydroxysulfanyl-4-methoxyquinoline?
8-hydroxysulfanyl-4-methoxyquinoline has a molecular weight of 207.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxysulfanyl-4-methoxyquinoline is sourced from PubChem (CID 176668017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).