oxan-3-yl(quinolin-7-yl)methanamine

C15H18N2O — CID 81231409

IUPACoxan-3-yl(quinolin-7-yl)methanamine
SMILESNC(c1ccc2cccnc2c1)C1CCCOC1
InChIInChI=1S/C15H18N2O/c16-15(13-4-2-8-18-10-13)12-6-5-11-3-1-7-17-14(11)9-12/h1,3,5-7,9,13,15H,2,4,8,10,16H2
InChIKeyDRRZDFOVXSZJBR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.66
Rot. Bonds2

About oxan-3-yl(quinolin-7-yl)methanamine

oxan-3-yl(quinolin-7-yl)methanamine (PubChem CID 81231409) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is oxan-3-yl(quinolin-7-yl)methanamine.

Molecular Properties

Compound Nameoxan-3-yl(quinolin-7-yl)methanamine
PubChem CID81231409
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameoxan-3-yl(quinolin-7-yl)methanamine
SMILESNC(c1ccc2cccnc2c1)C1CCCOC1
InChIInChI=1S/C15H18N2O/c16-15(13-4-2-8-18-10-13)12-6-5-11-3-1-7-17-14(11)9-12/h1,3,5-7,9,13,15H,2,4,8,10,16H2
InChIKeyDRRZDFOVXSZJBR-UHFFFAOYSA-N
XLogP2.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze oxan-3-yl(quinolin-7-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(quinolin-7-yl)methanamine?
The IUPAC name of oxan-3-yl(quinolin-7-yl)methanamine (CID 81231409) is oxan-3-yl(quinolin-7-yl)methanamine.
What is the SMILES notation for oxan-3-yl(quinolin-7-yl)methanamine?
The canonical SMILES for oxan-3-yl(quinolin-7-yl)methanamine is NC(c1ccc2cccnc2c1)C1CCCOC1.
What is the InChIKey of oxan-3-yl(quinolin-7-yl)methanamine?
The InChIKey is DRRZDFOVXSZJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-15(13-4-2-8-18-10-13)12-6-5-11-3-1-7-17-14(11)9-12/h1,3,5-7,9,13,15H,2,4,8,10,16H2.
What are the key properties of oxan-3-yl(quinolin-7-yl)methanamine?
oxan-3-yl(quinolin-7-yl)methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(quinolin-7-yl)methanamine is sourced from PubChem (CID 81231409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).