methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate

C21H19NO5 — CID 23773169

IUPACmethyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)CC(c2ccco2)C2=C1CCCC2=O
InChIInChI=1S/C21H19NO5/c1-26-21(25)13-6-2-3-7-15(13)22-16-8-4-9-17(23)20(16)14(12-19(22)24)18-10-5-11-27-18/h2-3,5-7,10-11,14H,4,8-9,12H2,1H3
InChIKeyVDQZQWRGBUXXHJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.59
Rot. Bonds3

About methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate

methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate (PubChem CID 23773169) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate
PubChem CID23773169
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Namemethyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)CC(c2ccco2)C2=C1CCCC2=O
InChIInChI=1S/C21H19NO5/c1-26-21(25)13-6-2-3-7-15(13)22-16-8-4-9-17(23)20(16)14(12-19(22)24)18-10-5-11-27-18/h2-3,5-7,10-11,14H,4,8-9,12H2,1H3
InChIKeyVDQZQWRGBUXXHJ-UHFFFAOYSA-N
XLogP3.59
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate with MolForge

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Related Compounds

1-(3,5-dimethoxyphenyl)-4-(furan-2-yl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23971155
4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide
CID 23859433
1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496698
methyl (4R)-2-amino-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 126143708
methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate
CID 42868328
1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23887321
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887269
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773184
methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2230145
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzoate
CID 23832841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate (CID 23773169) is methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate is COC(=O)c1ccccc1N1C(=O)CC(c2ccco2)C2=C1CCCC2=O.
What is the InChIKey of methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate?
The InChIKey is VDQZQWRGBUXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-26-21(25)13-6-2-3-7-15(13)22-16-8-4-9-17(23)20(16)14(12-19(22)24)18-10-5-11-27-18/h2-3,5-7,10-11,14H,4,8-9,12H2,1H3.
What are the key properties of methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate?
methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-yl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoate is sourced from PubChem (CID 23773169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).