[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone

C16H18N2O2 — CID 116561386

IUPAC[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone
SMILESCNC1COCC1C(=O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H18N2O2/c1-10-3-4-11-7-12(5-6-14(11)18-10)16(19)13-8-20-9-15(13)17-2/h3-7,13,15,17H,8-9H2,1-2H3
InChIKeyVOKUAMWPSWYYEH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.96
Rot. Bonds3

About [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone

[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone (PubChem CID 116561386) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone
PubChem CID116561386
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone
SMILESCNC1COCC1C(=O)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H18N2O2/c1-10-3-4-11-7-12(5-6-14(11)18-10)16(19)13-8-20-9-15(13)17-2/h3-7,13,15,17H,8-9H2,1-2H3
InChIKeyVOKUAMWPSWYYEH-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone (CID 116561386) is [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone is CNC1COCC1C(=O)c1ccc2nc(C)ccc2c1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone?
The InChIKey is VOKUAMWPSWYYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-3-4-11-7-12(5-6-14(11)18-10)16(19)13-8-20-9-15(13)17-2/h3-7,13,15,17H,8-9H2,1-2H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone?
[4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 116561386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).