7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline

C14H19NO — CID 115075397

IUPAC7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(Oc2ccc3c(c2)NCCC3)CCC1
InChIInChI=1S/C14H19NO/c1-14(7-3-8-14)16-12-6-5-11-4-2-9-15-13(11)10-12/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyUTBYAEPIIYROLG-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.37
Rot. Bonds2

About 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline

7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075397) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075397
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(Oc2ccc3c(c2)NCCC3)CCC1
InChIInChI=1S/C14H19NO/c1-14(7-3-8-14)16-12-6-5-11-4-2-9-15-13(11)10-12/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyUTBYAEPIIYROLG-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075397) is 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline is CC1(Oc2ccc3c(c2)NCCC3)CCC1.
What is the InChIKey of 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is UTBYAEPIIYROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(7-3-8-14)16-12-6-5-11-4-2-9-15-13(11)10-12/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline?
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).