6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline

C13H18N2O — CID 84683949

IUPAC6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1OC1CCNC1)CCCN2
InChIInChI=1S/C13H18N2O/c1-2-10-8-11(3-4-13(10)15-6-1)16-12-5-7-14-9-12/h3-4,8,12,14-15H,1-2,5-7,9H2
InChIKeyBOTRVUPNSJSZLN-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline

6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline (PubChem CID 84683949) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
PubChem CID84683949
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1OC1CCNC1)CCCN2
InChIInChI=1S/C13H18N2O/c1-2-10-8-11(3-4-13(10)15-6-1)16-12-5-7-14-9-12/h3-4,8,12,14-15H,1-2,5-7,9H2
InChIKeyBOTRVUPNSJSZLN-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline (CID 84683949) is 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1OC1CCNC1)CCCN2.
What is the InChIKey of 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is BOTRVUPNSJSZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-8-11(3-4-13(10)15-6-1)16-12-5-7-14-9-12/h3-4,8,12,14-15H,1-2,5-7,9H2.
What are the key properties of 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline?
6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 218.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84683949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).