6-methoxy-1-propyl-5H-quinoline

C13H17NO — CID 88676642

IUPAC6-methoxy-1-propyl-5H-quinoline
SMILESCCCN1C=CC=C2CC(OC)=CC=C21
InChIInChI=1S/C13H17NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h4-7,9H,3,8,10H2,1-2H3
InChIKeyDAYGALLDTAQRPN-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.97
Rot. Bonds3

About 6-methoxy-1-propyl-5H-quinoline

6-methoxy-1-propyl-5H-quinoline (PubChem CID 88676642) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-methoxy-1-propyl-5H-quinoline.

Molecular Properties

Compound Name6-methoxy-1-propyl-5H-quinoline
PubChem CID88676642
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-methoxy-1-propyl-5H-quinoline
SMILESCCCN1C=CC=C2CC(OC)=CC=C21
InChIInChI=1S/C13H17NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h4-7,9H,3,8,10H2,1-2H3
InChIKeyDAYGALLDTAQRPN-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propyl-5H-quinoline?
The IUPAC name of 6-methoxy-1-propyl-5H-quinoline (CID 88676642) is 6-methoxy-1-propyl-5H-quinoline.
What is the SMILES notation for 6-methoxy-1-propyl-5H-quinoline?
The canonical SMILES for 6-methoxy-1-propyl-5H-quinoline is CCCN1C=CC=C2CC(OC)=CC=C21.
What is the InChIKey of 6-methoxy-1-propyl-5H-quinoline?
The InChIKey is DAYGALLDTAQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 6-methoxy-1-propyl-5H-quinoline?
6-methoxy-1-propyl-5H-quinoline has a molecular weight of 203.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propyl-5H-quinoline is sourced from PubChem (CID 88676642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).