diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate

C25H21NO5 — CID 44612997

IUPACdiethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2ccc3ccccc3n2c1C(=O)c1ccccc1
InChIInChI=1S/C25H21NO5/c1-3-30-24(28)20-19-15-14-16-10-8-9-13-18(16)26(19)22(21(20)25(29)31-4-2)23(27)17-11-6-5-7-12-17/h5-15H,3-4H2,1-2H3
InChIKeyQJGVLDTXWRETEU-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.68
Rot. Bonds6

About diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate

diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate (PubChem CID 44612997) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
PubChem CID44612997
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Namediethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2ccc3ccccc3n2c1C(=O)c1ccccc1
InChIInChI=1S/C25H21NO5/c1-3-30-24(28)20-19-15-14-16-10-8-9-13-18(16)26(19)22(21(20)25(29)31-4-2)23(27)17-11-6-5-7-12-17/h5-15H,3-4H2,1-2H3
InChIKeyQJGVLDTXWRETEU-UHFFFAOYSA-N
XLogP4.68
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
Dimethyl 3-benzoyl-1,2-indolizinedicarboxylate
CID 820872
6,11-Dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
CID 273769
Ethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 14900032
Ethyl 5,12-dioxoindolizino[3,2-g]quinoline-11-carboxylate
CID 16090079
2-(4-ethylphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate
CID 1332474
2-Pyridin-2-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188471
2-Piperidin-1-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188472
2-Morpholin-4-ylethyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188473
3-Piperidin-1-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188474
3-Morpholin-4-ylpropyl 5,12-dioxoindolizino[2,3-g]quinoline-6-carboxylate
CID 122188475
4-Phenylfuro[3,4-c]quinoline-1,3-dione
CID 370369

Frequently Asked Questions

What is the IUPAC name of diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The IUPAC name of diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate (CID 44612997) is diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The canonical SMILES for diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate is CCOC(=O)c1c(C(=O)OCC)c2ccc3ccccc3n2c1C(=O)c1ccccc1.
What is the InChIKey of diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The InChIKey is QJGVLDTXWRETEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-3-30-24(28)20-19-15-14-16-10-8-9-13-18(16)26(19)22(21(20)25(29)31-4-2)23(27)17-11-6-5-7-12-17/h5-15H,3-4H2,1-2H3.
What are the key properties of diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate has a molecular weight of 415.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate is sourced from PubChem (CID 44612997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).