8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine

C16H18N2O — CID 133369119

IUPAC8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine
SMILESCc1cccc2c(NC3CC4CCC3O4)ccnc12
InChIInChI=1S/C16H18N2O/c1-10-3-2-4-12-13(7-8-17-16(10)12)18-14-9-11-5-6-15(14)19-11/h2-4,7-8,11,14-15H,5-6,9H2,1H3,(H,17,18)
InChIKeyAPFNEOIRIDMAMA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.28
Rot. Bonds2

About 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine

8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine (PubChem CID 133369119) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine
PubChem CID133369119
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine
SMILESCc1cccc2c(NC3CC4CCC3O4)ccnc12
InChIInChI=1S/C16H18N2O/c1-10-3-2-4-12-13(7-8-17-16(10)12)18-14-9-11-5-6-15(14)19-11/h2-4,7-8,11,14-15H,5-6,9H2,1H3,(H,17,18)
InChIKeyAPFNEOIRIDMAMA-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine?
The IUPAC name of 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine (CID 133369119) is 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine.
What is the SMILES notation for 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine?
The canonical SMILES for 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine is Cc1cccc2c(NC3CC4CCC3O4)ccnc12.
What is the InChIKey of 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine?
The InChIKey is APFNEOIRIDMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-3-2-4-12-13(7-8-17-16(10)12)18-14-9-11-5-6-15(14)19-11/h2-4,7-8,11,14-15H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine?
8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine has a molecular weight of 254.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-4-amine is sourced from PubChem (CID 133369119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).