2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione

C16H18N2O3 — CID 3244759

IUPAC2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
SMILESCC(C)Cn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2
InChIInChI=1S/C16H18N2O3/c1-9(2)8-18-12-7-5-4-6-11(12)14-13(16(18)20)17-15(19)10(3)21-14/h4-7,9-10H,8H2,1-3H3,(H,17,19)
InChIKeyQROOHCCIKGFUNB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione

2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione (PubChem CID 3244759) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
PubChem CID3244759
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
SMILESCC(C)Cn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2
InChIInChI=1S/C16H18N2O3/c1-9(2)8-18-12-7-5-4-6-11(12)14-13(16(18)20)17-15(19)10(3)21-14/h4-7,9-10H,8H2,1-3H3,(H,17,19)
InChIKeyQROOHCCIKGFUNB-UHFFFAOYSA-N
XLogP2.38
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
The IUPAC name of 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione (CID 3244759) is 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione.
What is the SMILES notation for 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
The canonical SMILES for 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione is CC(C)Cn1c(=O)c2c(c3ccccc31)OC(C)C(=O)N2.
What is the InChIKey of 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
The InChIKey is QROOHCCIKGFUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)8-18-12-7-5-4-6-11(12)14-13(16(18)20)17-15(19)10(3)21-14/h4-7,9-10H,8H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione?
2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione has a molecular weight of 286.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropyl)-4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione is sourced from PubChem (CID 3244759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).