[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate

C22H24ClNO4 — CID 70344957

IUPAC[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate
SMILESCOC(=O)OC1=C2CCCN2C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO4/c1-22(2)11-16-19(17(25)12-22)18(13-6-8-14(23)9-7-13)20(28-21(26)27-3)15-5-4-10-24(15)16/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyZNNWXZIHTSZFKR-UHFFFAOYSA-N
MW401.89 g/mol
LogP5.17
Rot. Bonds2

About [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate

[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate (PubChem CID 70344957) has the molecular formula C22H24ClNO4 and a molecular weight of 401.89 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate
PubChem CID70344957
Molecular FormulaC22H24ClNO4
Molecular Weight401.89 g/mol
Exact Mass401.14
IUPAC Name[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate
SMILESCOC(=O)OC1=C2CCCN2C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO4/c1-22(2)11-16-19(17(25)12-22)18(13-6-8-14(23)9-7-13)20(28-21(26)27-3)15-5-4-10-24(15)16/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyZNNWXZIHTSZFKR-UHFFFAOYSA-N
XLogP5.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.89
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate with MolForge

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Related Compounds

dimethyl 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-2,3-dicarboxylate
CID 56925513
methyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3411934
dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate
CID 23212969
9-(4-chlorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 3240720
tert-butyl 10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-1,9-dioxo-4,6,8,10-tetrahydro-3H-benzo[b][1,6]naphthyridine-2-carboxylate
CID 122402150
10-(4-chlorophenyl)-3,3,6,6-tetramethyl-9-(4-nitrophenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 46197195
methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 5306273
10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 42645874
9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1088711
10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 24774092
methyl 4-[3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
CID 15995617
2-methoxyethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 3728052

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate?
The IUPAC name of [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate (CID 70344957) is [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate.
What is the SMILES notation for [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate?
The canonical SMILES for [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate is COC(=O)OC1=C2CCCN2C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate?
The InChIKey is ZNNWXZIHTSZFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO4/c1-22(2)11-16-19(17(25)12-22)18(13-6-8-14(23)9-7-13)20(28-21(26)27-3)15-5-4-10-24(15)16/h6-9,18H,4-5,10-12H2,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate?
[5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate has a molecular weight of 401.89 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-8,8-dimethyl-6-oxo-1,2,3,5,7,9-hexahydropyrrolo[1,2-a]quinolin-4-yl] methyl carbonate is sourced from PubChem (CID 70344957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).