3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one

C18H16N2O3 — CID 70682993

IUPAC3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESCc1cc(C)c2nc3c(cc2c1)CN(Cc1ccco1)C(=O)O3
InChIInChI=1S/C18H16N2O3/c1-11-6-12(2)16-13(7-11)8-14-9-20(10-15-4-3-5-22-15)18(21)23-17(14)19-16/h3-8H,9-10H2,1-2H3
InChIKeyLOZQMTZWPLIVKX-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.96
Rot. Bonds2

About 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one

3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one (PubChem CID 70682993) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
PubChem CID70682993
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESCc1cc(C)c2nc3c(cc2c1)CN(Cc1ccco1)C(=O)O3
InChIInChI=1S/C18H16N2O3/c1-11-6-12(2)16-13(7-11)8-14-9-20(10-15-4-3-5-22-15)18(21)23-17(14)19-16/h3-8H,9-10H2,1-2H3
InChIKeyLOZQMTZWPLIVKX-UHFFFAOYSA-N
XLogP3.96
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The IUPAC name of 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one (CID 70682993) is 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one is Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccco1)C(=O)O3.
What is the InChIKey of 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The InChIKey is LOZQMTZWPLIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-6-12(2)16-13(7-11)8-14-9-20(10-15-4-3-5-22-15)18(21)23-17(14)19-16/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one has a molecular weight of 308.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one is sourced from PubChem (CID 70682993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).