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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-N-(thian-3-yl)quinolin-4-amine
CID 133368635
8-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 103760464
N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
CID 80719667
4-N,6-N-bis[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrimidine-4,6-diamine
CID 129429968
8-methyl-N-(thiolan-2-ylmethyl)quinolin-4-amine
CID 133368980
6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853390
8-methyl-N-(oxepan-4-yl)quinolin-5-amine
CID 65082047
1-N-(8-methylquinolin-5-yl)cyclohexane-1,3-diamine
CID 79458949
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499
N-(3-ethoxycyclobutyl)-8-methylquinolin-5-amine
CID 112573902
N-(4-methyl-3-nitrophenyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80719537

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).