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

C23H17NO5 — CID 44612996

IUPACdimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2ccc3ccccc3n2c1C(=O)c1ccccc1
InChIInChI=1S/C23H17NO5/c1-28-22(26)18-17-13-12-14-8-6-7-11-16(14)24(17)20(19(18)23(27)29-2)21(25)15-9-4-3-5-10-15/h3-13H,1-2H3
InChIKeySIQFOGGKZOKJBP-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.90
Rot. Bonds4

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

dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate (PubChem CID 44612996) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
PubChem CID44612996
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Namedimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2ccc3ccccc3n2c1C(=O)c1ccccc1
InChIInChI=1S/C23H17NO5/c1-28-22(26)18-17-13-12-14-8-6-7-11-16(14)24(17)20(19(18)23(27)29-2)21(25)15-9-4-3-5-10-15/h3-13H,1-2H3
InChIKeySIQFOGGKZOKJBP-UHFFFAOYSA-N
XLogP3.90
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-benzoyl-1-(trifluoromethyl)pyrrolo[1,2-a]quinoline-2-carboxylate
CID 132539065
dimethyl 3-(naphthalene-2-carbonyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
CID 3699630
dimethyl 1-(2-oxochromene-3-carbonyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 102029310
dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate
CID 12523204
dimethyl 3-(4-methoxybenzoyl)pyrrolo[1,2-i][1,7]phenanthroline-1,2-dicarboxylate
CID 102503087
ethyl 1-benzoyl-2-(4-methoxyphenyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596232
dimethyl 4-bromo-1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 170941533
dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 983216
dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 11451009
methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 880885
dimethyl 3-benzoylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate
CID 988016
1-O,2-O-dimethyl 7-O-propan-2-yl 3-benzoylindolizine-1,2,7-tricarboxylate
CID 170341547

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate (CID 44612996) is dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate is COC(=O)c1c(C(=O)OC)c2ccc3ccccc3n2c1C(=O)c1ccccc1.
What is the InChIKey of dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The InChIKey is SIQFOGGKZOKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c1-28-22(26)18-17-13-12-14-8-6-7-11-16(14)24(17)20(19(18)23(27)29-2)21(25)15-9-4-3-5-10-15/h3-13H,1-2H3.
What are the key properties of dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate has a molecular weight of 387.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate is sourced from PubChem (CID 44612996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).