methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate

C16H13NO4 — CID 167783546

IUPACmethyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc3ccccc3[nH]c2=O)c(C)o1
InChIInChI=1S/C16H13NO4/c1-9-11(8-14(21-9)16(19)20-2)12-7-10-5-3-4-6-13(10)17-15(12)18/h3-8H,1-2H3,(H,17,18)
InChIKeyUCYQHPQRMSNION-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.88
Rot. Bonds2

About methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate

methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate (PubChem CID 167783546) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate
PubChem CID167783546
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc3ccccc3[nH]c2=O)c(C)o1
InChIInChI=1S/C16H13NO4/c1-9-11(8-14(21-9)16(19)20-2)12-7-10-5-3-4-6-13(10)17-15(12)18/h3-8H,1-2H3,(H,17,18)
InChIKeyUCYQHPQRMSNION-UHFFFAOYSA-N
XLogP2.88
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-4-oxo-5H-furo[3,4-c]quinoline-1-carboxylate
CID 10729818
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1H-indole-2-carboxylate
CID 7722921
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
CID 75403102
3-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
CID 139658813
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate
CID 69453571
methyl 4-bromo-2-(1H-indol-2-yl)benzoate
CID 150817148
(E)-3-(furan-2-yl)-N-[[3-methoxy-4-(2-oxo-1H-quinolin-3-yl)phenyl]carbamoyl]-N-sulfanylprop-2-enamide
CID 87484434
methyl N-(1H-indol-2-yl)carbamate
CID 68950849

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate (CID 167783546) is methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate is COC(=O)c1cc(-c2cc3ccccc3[nH]c2=O)c(C)o1.
What is the InChIKey of methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate?
The InChIKey is UCYQHPQRMSNION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9-11(8-14(21-9)16(19)20-2)12-7-10-5-3-4-6-13(10)17-15(12)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate?
methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(2-oxo-1H-quinolin-3-yl)furan-2-carboxylate is sourced from PubChem (CID 167783546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).