4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one

C16H20N2O3 — CID 106300252

IUPAC4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2(CO)CCOCC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-18-14-5-3-2-4-12(14)13(10-15(18)20)17-16(11-19)6-8-21-9-7-16/h2-5,10,17,19H,6-9,11H2,1H3
InChIKeyJDDJHYOSCJJPDW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds3

About 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one (PubChem CID 106300252) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one
PubChem CID106300252
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2(CO)CCOCC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-18-14-5-3-2-4-12(14)13(10-15(18)20)17-16(11-19)6-8-21-9-7-16/h2-5,10,17,19H,6-9,11H2,1H3
InChIKeyJDDJHYOSCJJPDW-UHFFFAOYSA-N
XLogP1.49
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one?
The IUPAC name of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one (CID 106300252) is 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one is Cn1c(=O)cc(NC2(CO)CCOCC2)c2ccccc21.
What is the InChIKey of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one?
The InChIKey is JDDJHYOSCJJPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18-14-5-3-2-4-12(14)13(10-15(18)20)17-16(11-19)6-8-21-9-7-16/h2-5,10,17,19H,6-9,11H2,1H3.
What are the key properties of 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one?
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one is sourced from PubChem (CID 106300252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).