[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone

C23H29N3O — CID 166092005

IUPAC[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone
SMILESCC1CC(C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1
InChIInChI=1S/C23H29N3O/c1-13(2)25-12-17(23(27)26-14(3)8-15(26)4)9-19-18-6-5-7-20-22(18)16(11-24-20)10-21(19)25/h5-7,9,11,13-15,17,21,24H,8,10,12H2,1-4H3/t14?,15?,17-,21-/m1/s1
InChIKeyNLAMQLWGAHWMAC-FGLRIPBYSA-N
MW363.51 g/mol
LogP3.83
Rot. Bonds2

About [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone

[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone (PubChem CID 166092005) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone
PubChem CID166092005
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone
SMILESCC1CC(C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1
InChIInChI=1S/C23H29N3O/c1-13(2)25-12-17(23(27)26-14(3)8-15(26)4)9-19-18-6-5-7-20-22(18)16(11-24-20)10-21(19)25/h5-7,9,11,13-15,17,21,24H,8,10,12H2,1-4H3/t14?,15?,17-,21-/m1/s1
InChIKeyNLAMQLWGAHWMAC-FGLRIPBYSA-N
XLogP3.83
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone with MolForge

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Related Compounds

[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 167171045
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
(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
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
(6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone
CID 170723200
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 53463870
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 68547726
N-(2-bicyclo[1.1.1]pentanyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723236

Frequently Asked Questions

What is the IUPAC name of [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone?
The IUPAC name of [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone (CID 166092005) is [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone.
What is the SMILES notation for [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone?
The canonical SMILES for [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone is CC1CC(C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(C)C)C1.
What is the InChIKey of [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone?
The InChIKey is NLAMQLWGAHWMAC-FGLRIPBYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-13(2)25-12-17(23(27)26-14(3)8-15(26)4)9-19-18-6-5-7-20-22(18)16(11-24-20)10-21(19)25/h5-7,9,11,13-15,17,21,24H,8,10,12H2,1-4H3/t14?,15?,17-,21-/m1/s1.
What are the key properties of [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone?
[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone has a molecular weight of 363.51 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(2,4-dimethylazetidin-1-yl)methanone is sourced from PubChem (CID 166092005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).