5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline

C17H23NO — CID 103044970

IUPAC5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCC3CC4CCC3C4)c1)CCCN2
InChIInChI=1S/C17H23NO/c1-4-16-15(3-2-8-18-16)17(5-1)19-11-14-10-12-6-7-13(14)9-12/h1,4-5,12-14,18H,2-3,6-11H2
InChIKeySJWQGGHSCHHKQC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds3

About 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline

5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 103044970) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID103044970
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCC3CC4CCC3C4)c1)CCCN2
InChIInChI=1S/C17H23NO/c1-4-16-15(3-2-8-18-16)17(5-1)19-11-14-10-12-6-7-13(14)9-12/h1,4-5,12-14,18H,2-3,6-11H2
InChIKeySJWQGGHSCHHKQC-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

5-[(3-methylcyclopentyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075113
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
2-(1,2,3,4-tetrahydroquinolin-5-yloxy)ethanamine
CID 84664284
4-(oxan-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074354
5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075088
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 103045046
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045027
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045089

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline (CID 103044970) is 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(OCC3CC4CCC3C4)c1)CCCN2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is SJWQGGHSCHHKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-16-15(3-2-8-18-16)17(5-1)19-11-14-10-12-6-7-13(14)9-12/h1,4-5,12-14,18H,2-3,6-11H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline?
5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103044970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).