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

C18H17NO4 — CID 13133975

IUPACethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O
InChIInChI=1S/C18H17NO4/c1-2-23-18(22)14-10-13-15(19-17(14)21)8-12(9-16(13)20)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,19,21)
InChIKeyBGTPJTNOHCRZJL-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.46
Rot. Bonds3

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

ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 13133975) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID13133975
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O
InChIInChI=1S/C18H17NO4/c1-2-23-18(22)14-10-13-15(19-17(14)21)8-12(9-16(13)20)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,19,21)
InChIKeyBGTPJTNOHCRZJL-UHFFFAOYSA-N
XLogP2.46
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 13133975) is ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O.
What is the InChIKey of ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is BGTPJTNOHCRZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-23-18(22)14-10-13-15(19-17(14)21)8-12(9-16(13)20)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,19,21).
What are the key properties of ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 13133975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).