dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate

C18H17NO5 — CID 102018794

IUPACdimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)C1=C2C=Cc3ccccc3N2[C@@H](C(C)=O)[C@@H]1C(=O)OC
InChIInChI=1S/C18H17NO5/c1-10(20)16-15(18(22)24-3)14(17(21)23-2)13-9-8-11-6-4-5-7-12(11)19(13)16/h4-9,15-16H,1-3H3/t15-,16+/m1/s1
InChIKeyVKDZGCOSSFGRLI-CVEARBPZSA-N
MW327.34 g/mol
LogP1.71
Rot. Bonds3

About dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate

dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate (PubChem CID 102018794) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
PubChem CID102018794
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namedimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate
SMILESCOC(=O)C1=C2C=Cc3ccccc3N2[C@@H](C(C)=O)[C@@H]1C(=O)OC
InChIInChI=1S/C18H17NO5/c1-10(20)16-15(18(22)24-3)14(17(21)23-2)13-9-8-11-6-4-5-7-12(11)19(13)16/h4-9,15-16H,1-3H3/t15-,16+/m1/s1
InChIKeyVKDZGCOSSFGRLI-CVEARBPZSA-N
XLogP1.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tetramethyl 1-(2,6-dimethylphenyl)-3a,6-dihydroindole-4,5,6,7-tetracarboxylate
CID 12600470
trimethyl (2R,5S)-1,5-diphenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
CID 101254394
trimethyl (2S,5R)-1,5-diphenyl-2,5-dihydropyrrole-2,3,4-tricarboxylate
CID 135003382
Benzo[f]cyclopenta[a]quinolizine-6,7,7a,8,9,10(8H)-hexacarboxylic acid, 6,7-dihydro-, hexamethyl ester
CID 634629
6-PH-2H-Azepino(1,2-A)quinoline-7,8,9,10-tetracarboxylic acid tetramethyl ester
CID 4190360
Tetramethyl 4a-butan-2-ylbenzo[f]quinolizine-1,2,3,4-tetracarboxylate
CID 44721831
tetramethyl 1H-benzo[f]quinolizine-1,2,3,4-tetracarboxylate
CID 44723604
tetramethyl 4aH-benzo[f]quinolizine-1,2,3,4-tetracarboxylate
CID 56840098
tetramethyl (10S)-6-phenyl-10,11-dihydroazepino[1,2-a]quinoline-7,8,9,10-tetracarboxylate
CID 92640792
tetramethyl (10R)-6-phenyl-10,11-dihydroazepino[1,2-a]quinoline-7,8,9,10-tetracarboxylate
CID 92640793
tetramethyl (4aS)-4a-[(2R)-butan-2-yl]benzo[f]quinolizine-1,2,3,4-tetracarboxylate
CID 124373905
tetramethyl (4aS)-4a-[(2S)-butan-2-yl]benzo[f]quinolizine-1,2,3,4-tetracarboxylate
CID 124373906

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate (CID 102018794) is dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate is COC(=O)C1=C2C=Cc3ccccc3N2[C@@H](C(C)=O)[C@@H]1C(=O)OC.
What is the InChIKey of dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
The InChIKey is VKDZGCOSSFGRLI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H17NO5/c1-10(20)16-15(18(22)24-3)14(17(21)23-2)13-9-8-11-6-4-5-7-12(11)19(13)16/h4-9,15-16H,1-3H3/t15-,16+/m1/s1.
What are the key properties of dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate?
dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,2R)-1-acetyl-1,2-dihydropyrrolo[1,2-a]quinoline-2,3-dicarboxylate is sourced from PubChem (CID 102018794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).