3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate

C19H18N2O5 — CID 1078123

IUPAC3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1ccco1
InChIInChI=1S/C19H18N2O5/c1-3-25-19(23)15-11-21-16-13(7-4-8-14(16)18(22)24-2)17(15)20-10-12-6-5-9-26-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeyCMPMWFWTBFJNCV-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.40
Rot. Bonds6

About 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate

3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate (PubChem CID 1078123) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate
PubChem CID1078123
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1ccco1
InChIInChI=1S/C19H18N2O5/c1-3-25-19(23)15-11-21-16-13(7-4-8-14(16)18(22)24-2)17(15)20-10-12-6-5-9-26-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeyCMPMWFWTBFJNCV-UHFFFAOYSA-N
XLogP3.40
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate?
The IUPAC name of 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate (CID 1078123) is 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate?
The canonical SMILES for 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate is CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1ccco1.
What is the InChIKey of 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate?
The InChIKey is CMPMWFWTBFJNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-3-25-19(23)15-11-21-16-13(7-4-8-14(16)18(22)24-2)17(15)20-10-12-6-5-9-26-12/h4-9,11H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate?
3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate has a molecular weight of 354.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quinoline-3,8-dicarboxylate is sourced from PubChem (CID 1078123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).