methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate

C17H15NO4 — CID 17036300

IUPACmethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O
InChIInChI=1S/C17H15NO4/c1-22-17(21)13-9-12-14(18-16(13)20)7-11(8-15(12)19)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,18,20)
InChIKeyFWTPUVMHJQMDFZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.07
Rot. Bonds2

About methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate

methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 17036300) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID17036300
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O
InChIInChI=1S/C17H15NO4/c1-22-17(21)13-9-12-14(18-16(13)20)7-11(8-15(12)19)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,18,20)
InChIKeyFWTPUVMHJQMDFZ-UHFFFAOYSA-N
XLogP2.07
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 17036300) is methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate is COC(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O.
What is the InChIKey of methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is FWTPUVMHJQMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-17(21)13-9-12-14(18-16(13)20)7-11(8-15(12)19)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,18,20).
What are the key properties of methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 17036300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).