7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate

C21H20FNO7 — CID 10740664

IUPAC7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c(cc(F)c3c(C(=O)OC)c(COC)oc32)c1=O
InChIInChI=1S/C21H20FNO7/c1-4-29-20(25)12-8-23(10-5-6-10)17-11(18(12)24)7-13(22)15-16(21(26)28-3)14(9-27-2)30-19(15)17/h7-8,10H,4-6,9H2,1-3H3
InChIKeyXCTUEGPGMNOOPE-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.33
Rot. Bonds6

About 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate

7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate (PubChem CID 10740664) has the molecular formula C21H20FNO7 and a molecular weight of 417.39 g/mol. Its IUPAC name is 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate.

Molecular Properties

Compound Name7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate
PubChem CID10740664
Molecular FormulaC21H20FNO7
Molecular Weight417.39 g/mol
Exact Mass417.12
IUPAC Name7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c(cc(F)c3c(C(=O)OC)c(COC)oc32)c1=O
InChIInChI=1S/C21H20FNO7/c1-4-29-20(25)12-8-23(10-5-6-10)17-11(18(12)24)7-13(22)15-16(21(26)28-3)14(9-27-2)30-19(15)17/h7-8,10H,4-6,9H2,1-3H3
InChIKeyXCTUEGPGMNOOPE-UHFFFAOYSA-N
XLogP3.33
TPSA96.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate with MolForge

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Related Compounds

ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
methyl 1-cyclopropyl-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-8-(methoxymethyl)-4-oxoquinoline-3-carboxylate
CID 19841130
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 1-cyclopropyl-6-fluoro-8-methoxy-7-(2-methoxy-2-oxo-1,1-diphenylethyl)-4-oxoquinoline-3-carboxylate
CID 54148077
ethyl 7-(3-acetamido-2-methylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 54417815
diethyl 1-cyclopropyl-5,7,8-trifluoro-4-oxoquinoline-3,6-dicarboxylate
CID 10524013
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22167225

Frequently Asked Questions

What is the IUPAC name of 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate?
The IUPAC name of 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate (CID 10740664) is 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate.
What is the SMILES notation for 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate?
The canonical SMILES for 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate is CCOC(=O)c1cn(C2CC2)c2c(cc(F)c3c(C(=O)OC)c(COC)oc32)c1=O.
What is the InChIKey of 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate?
The InChIKey is XCTUEGPGMNOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO7/c1-4-29-20(25)12-8-23(10-5-6-10)17-11(18(12)24)7-13(22)15-16(21(26)28-3)14(9-27-2)30-19(15)17/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate?
7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate has a molecular weight of 417.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-O-ethyl 3-O-methyl 9-cyclopropyl-4-fluoro-2-(methoxymethyl)-6-oxofuro[3,2-h]quinoline-3,7-dicarboxylate is sourced from PubChem (CID 10740664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).