[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone

C20H22BrN3O2 — CID 166091744

IUPAC[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
SMILESCN1C[C@H](C(=O)N2CCOCC2)C=C2c3cccc4[nH]c(Br)c(c34)CC21
InChIInChI=1S/C20H22BrN3O2/c1-23-11-12(20(25)24-5-7-26-8-6-24)9-14-13-3-2-4-16-18(13)15(10-17(14)23)19(21)22-16/h2-4,9,12,17,22H,5-8,10-11H2,1H3/t12-,17?/m1/s1
InChIKeyWUUIJYZYRFDRAN-MTATWXBHSA-N
MW416.32 g/mol
LogP2.66
Rot. Bonds1

About [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone

[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone (PubChem CID 166091744) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
PubChem CID166091744
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
SMILESCN1C[C@H](C(=O)N2CCOCC2)C=C2c3cccc4[nH]c(Br)c(c34)CC21
InChIInChI=1S/C20H22BrN3O2/c1-23-11-12(20(25)24-5-7-26-8-6-24)9-14-13-3-2-4-16-18(13)15(10-17(14)23)19(21)22-16/h2-4,9,12,17,22H,5-8,10-11H2,1H3/t12-,17?/m1/s1
InChIKeyWUUIJYZYRFDRAN-MTATWXBHSA-N
XLogP2.66
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(6aR,9R)-5-bromo-N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67943696
(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)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 3048720
1-[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylethenamine
CID 167513632
[(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
bis([(6aR,9R)-5-bromo-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-[(2S,4S)-2,4-dimethylazetidin-1-yl]methanone);2,3-dihydroxybutanedioic acid
CID 175881778
(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
(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)-N,7-dimethyl-5-(trifluoromethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 144653663
CID 172577975
CID 172577975
[(6aR,9R)-5-bromo-7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70118962
(6aR,9R)-5-bromo-N-[(1R,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 13187194

Frequently Asked Questions

What is the IUPAC name of [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone (CID 166091744) is [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone is CN1C[C@H](C(=O)N2CCOCC2)C=C2c3cccc4[nH]c(Br)c(c34)CC21.
What is the InChIKey of [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone?
The InChIKey is WUUIJYZYRFDRAN-MTATWXBHSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-23-11-12(20(25)24-5-7-26-8-6-24)9-14-13-3-2-4-16-18(13)15(10-17(14)23)19(21)22-16/h2-4,9,12,17,22H,5-8,10-11H2,1H3/t12-,17?/m1/s1.
What are the key properties of [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone?
[(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone has a molecular weight of 416.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166091744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).