dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate

C20H18FNO6 — CID 177448918

IUPACdimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C20H18FNO6/c1-9-15(19(24)26-3)17(16(10(2)28-9)20(25)27-4)13-8-11-7-12(21)5-6-14(11)22-18(13)23/h5-8,17H,1-4H3,(H,22,23)
InChIKeyWZXSKUIFCOEIPX-UHFFFAOYSA-N
MW387.36 g/mol
LogP2.67
Rot. Bonds3

About dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate

dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate (PubChem CID 177448918) has the molecular formula C20H18FNO6 and a molecular weight of 387.36 g/mol. Its IUPAC name is dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
PubChem CID177448918
Molecular FormulaC20H18FNO6
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Namedimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C20H18FNO6/c1-9-15(19(24)26-3)17(16(10(2)28-9)20(25)27-4)13-8-11-7-12(21)5-6-14(11)22-18(13)23/h5-8,17H,1-4H3,(H,22,23)
InChIKeyWZXSKUIFCOEIPX-UHFFFAOYSA-N
XLogP2.67
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate (CID 177448918) is dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate is COC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1c1cc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate?
The InChIKey is WZXSKUIFCOEIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO6/c1-9-15(19(24)26-3)17(16(10(2)28-9)20(25)27-4)13-8-11-7-12(21)5-6-14(11)22-18(13)23/h5-8,17H,1-4H3,(H,22,23).
What are the key properties of dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate?
dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate has a molecular weight of 387.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(6-fluoro-2-oxo-1H-quinolin-3-yl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 177448918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).