(4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate

C18H15NO5 — CID 2099355

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc3ccccc3n2)oc1C
InChIInChI=1S/C18H15NO5/c1-11-14(17(20)22-2)9-13(24-11)10-23-18(21)16-8-7-12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3
InChIKeyYHEASMSYCBJLMI-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.28
Rot. Bonds4

About (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate (PubChem CID 2099355) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate
PubChem CID2099355
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc3ccccc3n2)oc1C
InChIInChI=1S/C18H15NO5/c1-11-14(17(20)22-2)9-13(24-11)10-23-18(21)16-8-7-12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3
InChIKeyYHEASMSYCBJLMI-UHFFFAOYSA-N
XLogP3.28
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate (CID 2099355) is (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate is COC(=O)c1cc(COC(=O)c2ccc3ccccc3n2)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate?
The InChIKey is YHEASMSYCBJLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-11-14(17(20)22-2)9-13(24-11)10-23-18(21)16-8-7-12-5-3-4-6-15(12)19-16/h3-9H,10H2,1-2H3.
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate?
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 2099355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).