[(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone

C19H21N3O2 — CID 141156288

IUPAC[(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C=C2c3cccc4c3c(cn4O)C[C@H]2NC1)N1CCCC1
InChIInChI=1S/C19H21N3O2/c23-19(21-6-1-2-7-21)12-8-15-14-4-3-5-17-18(14)13(11-22(17)24)9-16(15)20-10-12/h3-5,8,11-12,16,20,24H,1-2,6-7,9-10H2/t12-,16-/m1/s1
InChIKeyPZGZOHFPUQXRHE-MLGOLLRUSA-N
MW323.40 g/mol
LogP2.03
Rot. Bonds1

About [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone

[(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 141156288) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID141156288
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1C=C2c3cccc4c3c(cn4O)C[C@H]2NC1)N1CCCC1
InChIInChI=1S/C19H21N3O2/c23-19(21-6-1-2-7-21)12-8-15-14-4-3-5-17-18(14)13(11-22(17)24)9-16(15)20-10-12/h3-5,8,11-12,16,20,24H,1-2,6-7,9-10H2/t12-,16-/m1/s1
InChIKeyPZGZOHFPUQXRHE-MLGOLLRUSA-N
XLogP2.03
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaen-4-yl(pyrrolidin-1-yl)methanone;(6-methyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaen-4-yl)-piperidin-1-ylmethanone
CID 176977625
(6aR,9R)-4-methyl-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
CID 163525313
9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 68547726
(6aR)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
CID 70917636
[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 167171045
[(7R)-5-bromo-7-methyl-7-oxido-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]-pyrrolidin-1-ylmethanone
CID 87492573
(6aR,9R)-5-bromo-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 142759981
(6aR,9R)-5-iodo-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 142759979
(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl chloride
CID 88808028
(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 167428238
(6aR,9R)-N,N-diethyl-7-methyl-4-(oxane-4-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 170763706
(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 170723210

Frequently Asked Questions

What is the IUPAC name of [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone (CID 141156288) is [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1C=C2c3cccc4c3c(cn4O)C[C@H]2NC1)N1CCCC1.
What is the InChIKey of [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PZGZOHFPUQXRHE-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(21-6-1-2-7-21)12-8-15-14-4-3-5-17-18(14)13(11-22(17)24)9-16(15)20-10-12/h3-5,8,11-12,16,20,24H,1-2,6-7,9-10H2/t12-,16-/m1/s1.
What are the key properties of [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone?
[(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 323.40 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9R)-4-hydroxy-6a,7,8,9-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 141156288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).