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

C16H13NO3 — CID 842067

IUPACmethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C16H13NO3/c1-10-7-8-15(20-10)14-9-12(16(18)19-2)11-5-3-4-6-13(11)17-14/h3-9H,1-2H3
InChIKeyPHXUNYFRKSYNRN-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.59
Rot. Bonds2

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

methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 842067) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID842067
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namemethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
InChIInChI=1S/C16H13NO3/c1-10-7-8-15(20-10)14-9-12(16(18)19-2)11-5-3-4-6-13(11)17-14/h3-9H,1-2H3
InChIKeyPHXUNYFRKSYNRN-UHFFFAOYSA-N
XLogP3.59
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 842067) is methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12.
What is the InChIKey of methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is PHXUNYFRKSYNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-7-8-15(20-10)14-9-12(16(18)19-2)11-5-3-4-6-13(11)17-14/h3-9H,1-2H3.
What are the key properties of methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 842067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).