methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate

C19H16FNO5 — CID 158445126

IUPACmethyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)N(Cc1ccc(OC)cc1)C(=O)C(=O)C2
InChIInChI=1S/C19H16FNO5/c1-25-13-5-3-11(4-6-13)10-21-16-9-15(20)14(19(24)26-2)7-12(16)8-17(22)18(21)23/h3-7,9H,8,10H2,1-2H3
InChIKeyHDHJZOVUAZJGGY-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.28
Rot. Bonds4

About methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate

methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate (PubChem CID 158445126) has the molecular formula C19H16FNO5 and a molecular weight of 357.34 g/mol. Its IUPAC name is methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate
PubChem CID158445126
Molecular FormulaC19H16FNO5
Molecular Weight357.34 g/mol
Exact Mass357.10
IUPAC Namemethyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)N(Cc1ccc(OC)cc1)C(=O)C(=O)C2
InChIInChI=1S/C19H16FNO5/c1-25-13-5-3-11(4-6-13)10-21-16-9-15(20)14(19(24)26-2)7-12(16)8-17(22)18(21)23/h3-7,9H,8,10H2,1-2H3
InChIKeyHDHJZOVUAZJGGY-UHFFFAOYSA-N
XLogP2.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 70246920
methyl 4-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzoate
CID 106698803
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
5-(4-chlorophenoxy)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
CID 142720889
methyl 4-[(7-methylsulfonyloxy-2-oxo-3,4-dihydroquinolin-1-yl)methyl]benzoate
CID 165114030
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840624
methyl 4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645833
methyl 5-fluoro-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-4-carboxylate
CID 154942266
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
methyl (4Z)-4-[(4-chlorophenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrole-3-carboxylate
CID 94847053

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate?
The IUPAC name of methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate (CID 158445126) is methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate?
The canonical SMILES for methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate is COC(=O)c1cc2c(cc1F)N(Cc1ccc(OC)cc1)C(=O)C(=O)C2.
What is the InChIKey of methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate?
The InChIKey is HDHJZOVUAZJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5/c1-25-13-5-3-11(4-6-13)10-21-16-9-15(20)14(19(24)26-2)7-12(16)8-17(22)18(21)23/h3-7,9H,8,10H2,1-2H3.
What are the key properties of methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate?
methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate has a molecular weight of 357.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate is sourced from PubChem (CID 158445126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).