3-methoxyquinoline

C10H9NO — CID 575807

IUPAC3-methoxyquinoline
SMILESCOc1cnc2ccccc2c1
InChIInChI=1S/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
InChIKeyAQCRFDKOKZGTDE-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.24
Rot. Bonds1

About 3-methoxyquinoline

3-methoxyquinoline (PubChem CID 575807) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methoxyquinoline.

Molecular Properties

Compound Name3-methoxyquinoline
PubChem CID575807
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-methoxyquinoline
SMILESCOc1cnc2ccccc2c1
InChIInChI=1S/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
InChIKeyAQCRFDKOKZGTDE-UHFFFAOYSA-N
XLogP2.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Hydroxyquinoline
CID 1923
3-Hydroxyquinoline
CID 11376
6-Methoxyquinoline
CID 14860
Stannane, (8-quinolinolato)tributyl-
CID 16683764
8-Acetoxyquinoline
CID 75777
6-Methoxyquinaldine
CID 70648
8-Methoxy-2-Methylquinoline
CID 316986
[3H]methoxy-PEPy
CID 10910934
9-Methoxyacridine
CID 99383
4-Methyl-8-hydroxyquinoline
CID 345169
1-(4-methoxyphenyl)-1H-indole
CID 775715
4-Methoxy-2-Phenylquinoline
CID 826247

Frequently Asked Questions

What is the IUPAC name of 3-methoxyquinoline?
The IUPAC name of 3-methoxyquinoline (CID 575807) is 3-methoxyquinoline.
What is the SMILES notation for 3-methoxyquinoline?
The canonical SMILES for 3-methoxyquinoline is COc1cnc2ccccc2c1.
What is the InChIKey of 3-methoxyquinoline?
The InChIKey is AQCRFDKOKZGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3.
What are the key properties of 3-methoxyquinoline?
3-methoxyquinoline has a molecular weight of 159.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyquinoline is sourced from PubChem (CID 575807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).