3-ethyl-7-methoxyquinoline

C12H13NO — CID 14361549

IUPAC3-ethyl-7-methoxyquinoline
SMILESCCc1cnc2cc(OC)ccc2c1
InChIInChI=1S/C12H13NO/c1-3-9-6-10-4-5-11(14-2)7-12(10)13-8-9/h4-8H,3H2,1-2H3
InChIKeyDCKLRXVDHLEZFQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.81
Rot. Bonds2

About 3-ethyl-7-methoxyquinoline

3-ethyl-7-methoxyquinoline (PubChem CID 14361549) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-ethyl-7-methoxyquinoline.

Molecular Properties

Compound Name3-ethyl-7-methoxyquinoline
PubChem CID14361549
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-ethyl-7-methoxyquinoline
SMILESCCc1cnc2cc(OC)ccc2c1
InChIInChI=1S/C12H13NO/c1-3-9-6-10-4-5-11(14-2)7-12(10)13-8-9/h4-8H,3H2,1-2H3
InChIKeyDCKLRXVDHLEZFQ-UHFFFAOYSA-N
XLogP2.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxyquinoline?
The IUPAC name of 3-ethyl-7-methoxyquinoline (CID 14361549) is 3-ethyl-7-methoxyquinoline.
What is the SMILES notation for 3-ethyl-7-methoxyquinoline?
The canonical SMILES for 3-ethyl-7-methoxyquinoline is CCc1cnc2cc(OC)ccc2c1.
What is the InChIKey of 3-ethyl-7-methoxyquinoline?
The InChIKey is DCKLRXVDHLEZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-9-6-10-4-5-11(14-2)7-12(10)13-8-9/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-7-methoxyquinoline?
3-ethyl-7-methoxyquinoline has a molecular weight of 187.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxyquinoline is sourced from PubChem (CID 14361549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).