methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate

C17H14BrNO4 — CID 46397823

IUPACmethyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(Br)ccc32)o1
InChIInChI=1S/C17H14BrNO4/c1-10-7-15(20)13-8-11(18)3-5-14(13)19(10)9-12-4-6-16(23-12)17(21)22-2/h3-8H,9H2,1-2H3
InChIKeyFOFWJZNWFYOSBD-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.50
Rot. Bonds3

About methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate

methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate (PubChem CID 46397823) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate
PubChem CID46397823
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Namemethyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(Br)ccc32)o1
InChIInChI=1S/C17H14BrNO4/c1-10-7-15(20)13-8-11(18)3-5-14(13)19(10)9-12-4-6-16(23-12)17(21)22-2/h3-8H,9H2,1-2H3
InChIKeyFOFWJZNWFYOSBD-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate (CID 46397823) is methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(Br)ccc32)o1.
What is the InChIKey of methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate?
The InChIKey is FOFWJZNWFYOSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c1-10-7-15(20)13-8-11(18)3-5-14(13)19(10)9-12-4-6-16(23-12)17(21)22-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate has a molecular weight of 376.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-bromo-2-methyl-4-oxoquinolin-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 46397823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).