8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline

C13H21NO — CID 70449274

IUPAC8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline
SMILESCCCN1CCCC2C=CC=C(OC)C21
InChIInChI=1S/C13H21NO/c1-3-9-14-10-5-7-11-6-4-8-12(15-2)13(11)14/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3
InChIKeyOMBNQCCAUXQUHD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds3

About 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline

8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline (PubChem CID 70449274) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline
PubChem CID70449274
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline
SMILESCCCN1CCCC2C=CC=C(OC)C21
InChIInChI=1S/C13H21NO/c1-3-9-14-10-5-7-11-6-4-8-12(15-2)13(11)14/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3
InChIKeyOMBNQCCAUXQUHD-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline?
The IUPAC name of 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline (CID 70449274) is 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline.
What is the SMILES notation for 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline?
The canonical SMILES for 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline is CCCN1CCCC2C=CC=C(OC)C21.
What is the InChIKey of 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline?
The InChIKey is OMBNQCCAUXQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-9-14-10-5-7-11-6-4-8-12(15-2)13(11)14/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3.
What are the key properties of 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline?
8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline has a molecular weight of 207.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-propyl-3,4,4a,8a-tetrahydro-2H-quinoline is sourced from PubChem (CID 70449274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).