N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine

C18H22N2O — CID 64864174

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine
SMILESCC1(C)C(Nc2cccc3ncccc23)C2CCCOC21
InChIInChI=1S/C18H22N2O/c1-18(2)16(13-7-5-11-21-17(13)18)20-15-9-3-8-14-12(15)6-4-10-19-14/h3-4,6,8-10,13,16-17,20H,5,7,11H2,1-2H3
InChIKeyGHYCCQFMOFZDAC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.85
Rot. Bonds2

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine (PubChem CID 64864174) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine
PubChem CID64864174
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine
SMILESCC1(C)C(Nc2cccc3ncccc23)C2CCCOC21
InChIInChI=1S/C18H22N2O/c1-18(2)16(13-7-5-11-21-17(13)18)20-15-9-3-8-14-12(15)6-4-10-19-14/h3-4,6,8-10,13,16-17,20H,5,7,11H2,1-2H3
InChIKeyGHYCCQFMOFZDAC-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine (CID 64864174) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine is CC1(C)C(Nc2cccc3ncccc23)C2CCCOC21.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine?
The InChIKey is GHYCCQFMOFZDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2)16(13-7-5-11-21-17(13)18)20-15-9-3-8-14-12(15)6-4-10-19-14/h3-4,6,8-10,13,16-17,20H,5,7,11H2,1-2H3.
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine has a molecular weight of 282.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)quinolin-5-amine is sourced from PubChem (CID 64864174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).