dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate

C24H18FNO5 — CID 983216

IUPACdimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(C)c3ccccc3n2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H18FNO5/c1-13-12-18-19(23(28)30-2)20(24(29)31-3)21(22(27)14-8-10-15(25)11-9-14)26(18)17-7-5-4-6-16(13)17/h4-12H,1-3H3
InChIKeyCMWIYSXFQXJEAJ-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.34
Rot. Bonds4

About dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate

dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate (PubChem CID 983216) has the molecular formula C24H18FNO5 and a molecular weight of 419.41 g/mol. Its IUPAC name is dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
PubChem CID983216
Molecular FormulaC24H18FNO5
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Namedimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2cc(C)c3ccccc3n2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H18FNO5/c1-13-12-18-19(23(28)30-2)20(24(29)31-3)21(22(27)14-8-10-15(25)11-9-14)26(18)17-7-5-4-6-16(13)17/h4-12H,1-3H3
InChIKeyCMWIYSXFQXJEAJ-UHFFFAOYSA-N
XLogP4.34
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate (CID 983216) is dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate is COC(=O)c1c(C(=O)OC)c2cc(C)c3ccccc3n2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The InChIKey is CMWIYSXFQXJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO5/c1-13-12-18-19(23(28)30-2)20(24(29)31-3)21(22(27)14-8-10-15(25)11-9-14)26(18)17-7-5-4-6-16(13)17/h4-12H,1-3H3.
What are the key properties of dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate has a molecular weight of 419.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate is sourced from PubChem (CID 983216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).