8-methoxy-1,2,3,4-tetrahydroquinoline

C10H13NO — CID 5200345

IUPAC8-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc2c1NCCC2
InChIInChI=1S/C10H13NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6,11H,3,5,7H2,1H3
InChIKeyZPRWUIXDTQZKJO-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.05
Rot. Bonds1

About 8-methoxy-1,2,3,4-tetrahydroquinoline

8-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 5200345) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID5200345
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name8-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc2c1NCCC2
InChIInChI=1S/C10H13NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6,11H,3,5,7H2,1H3
InChIKeyZPRWUIXDTQZKJO-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-methoxy-1,2,3,4-tetrahydroquinoline (CID 5200345) is 8-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-methoxy-1,2,3,4-tetrahydroquinoline is COc1cccc2c1NCCC2.
What is the InChIKey of 8-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZPRWUIXDTQZKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6,11H,3,5,7H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4-tetrahydroquinoline?
8-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 163.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 5200345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).