5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C20H23BrF3N3O2 — CID 123571382

IUPAC5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(CO)NC(=O)C1CC2c3cccc4c3c(c(Br)n4C(F)(F)F)CC2N(C)C1
InChIInChI=1S/C20H23BrF3N3O2/c1-10(9-28)25-19(29)11-6-13-12-4-3-5-15-17(12)14(7-16(13)26(2)8-11)18(21)27(15)20(22,23)24/h3-5,10-11,13,16,28H,6-9H2,1-2H3,(H,25,29)
InChIKeyWFSCOBWRKXKYBG-UHFFFAOYSA-N
MW474.32 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 123571382) has the molecular formula C20H23BrF3N3O2 and a molecular weight of 474.32 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID123571382
Molecular FormulaC20H23BrF3N3O2
Molecular Weight474.32 g/mol
Exact Mass473.09
IUPAC Name5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(CO)NC(=O)C1CC2c3cccc4c3c(c(Br)n4C(F)(F)F)CC2N(C)C1
InChIInChI=1S/C20H23BrF3N3O2/c1-10(9-28)25-19(29)11-6-13-12-4-3-5-15-17(12)14(7-16(13)26(2)8-11)18(21)27(15)20(22,23)24/h3-5,10-11,13,16,28H,6-9H2,1-2H3,(H,25,29)
InChIKeyWFSCOBWRKXKYBG-UHFFFAOYSA-N
XLogP3.34
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR)-N-(1-hydroxypropan-2-yl)-5,7-dimethyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 144653632
N-(1-hydroxybutan-2-yl)-4,7-dimethyl-5-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 76683662
(6aR,9R,10aR)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 12940522
(6aR,9R)-4-(fluoromethyl)-N-[(2S)-1-hydroxybutan-2-yl]-5,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 90251370
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 90247734
(6aR,9R)-5-cyclopropyl-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 138518466
N-(3,3-difluoro-1-hydroxybutan-2-yl)-6-methyl-11-thia-6-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
CID 138506849
(6aR,9R,10aR)-5-bromo-N-[(1S,2S,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]-4,7-bis(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 53258313
N,7-dimethyl-5-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 144653655
5-bromo-N-(1-hydroxypropan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 144653635
(6aR,9R,10aR)-5-bromo-N-[(1S,2S,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]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 90276578
(6aR,9R,10aR)-4-tert-butyl-N-[1-(1H-imidazol-2-yl)propyl]-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 70358545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 123571382) is 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CC(CO)NC(=O)C1CC2c3cccc4c3c(c(Br)n4C(F)(F)F)CC2N(C)C1.
What is the InChIKey of 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is WFSCOBWRKXKYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrF3N3O2/c1-10(9-28)25-19(29)11-6-13-12-4-3-5-15-17(12)14(7-16(13)26(2)8-11)18(21)27(15)20(22,23)24/h3-5,10-11,13,16,28H,6-9H2,1-2H3,(H,25,29).
What are the key properties of 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 474.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxypropan-2-yl)-7-methyl-4-(trifluoromethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 123571382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).