8-(oxan-4-ylmethoxymethyl)quinolin-5-amine

C16H20N2O2 — CID 62383132

IUPAC8-(oxan-4-ylmethoxymethyl)quinolin-5-amine
SMILESNc1ccc(COCC2CCOCC2)c2ncccc12
InChIInChI=1S/C16H20N2O2/c17-15-4-3-13(16-14(15)2-1-7-18-16)11-20-10-12-5-8-19-9-6-12/h1-4,7,12H,5-6,8-11,17H2
InChIKeyDWPHNTXQWXMHGE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.76
Rot. Bonds4

About 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine

8-(oxan-4-ylmethoxymethyl)quinolin-5-amine (PubChem CID 62383132) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine.

Molecular Properties

Compound Name8-(oxan-4-ylmethoxymethyl)quinolin-5-amine
PubChem CID62383132
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name8-(oxan-4-ylmethoxymethyl)quinolin-5-amine
SMILESNc1ccc(COCC2CCOCC2)c2ncccc12
InChIInChI=1S/C16H20N2O2/c17-15-4-3-13(16-14(15)2-1-7-18-16)11-20-10-12-5-8-19-9-6-12/h1-4,7,12H,5-6,8-11,17H2
InChIKeyDWPHNTXQWXMHGE-UHFFFAOYSA-N
XLogP2.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine?
The IUPAC name of 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine (CID 62383132) is 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine.
What is the SMILES notation for 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine?
The canonical SMILES for 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine is Nc1ccc(COCC2CCOCC2)c2ncccc12.
What is the InChIKey of 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine?
The InChIKey is DWPHNTXQWXMHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-15-4-3-13(16-14(15)2-1-7-18-16)11-20-10-12-5-8-19-9-6-12/h1-4,7,12H,5-6,8-11,17H2.
What are the key properties of 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine?
8-(oxan-4-ylmethoxymethyl)quinolin-5-amine has a molecular weight of 272.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylmethoxymethyl)quinolin-5-amine is sourced from PubChem (CID 62383132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).