(6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide

C18H23N3O — CID 164584950

IUPAC(6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C=C2c3cccc4c3C(CN4)C[C@H]2NC1
InChIInChI=1S/C18H23N3O/c1-10(2)21-18(22)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)20-9-12/h3-6,10-12,16,19-20H,7-9H2,1-2H3,(H,21,22)/t11?,12-,16-/m1/s1
InChIKeyZDYWLRIXAHSYLL-ZLXOECBPSA-N
MW297.40 g/mol
LogP2.10
Rot. Bonds2

About (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 164584950) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID164584950
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C=C2c3cccc4c3C(CN4)C[C@H]2NC1
InChIInChI=1S/C18H23N3O/c1-10(2)21-18(22)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)20-9-12/h3-6,10-12,16,19-20H,7-9H2,1-2H3,(H,21,22)/t11?,12-,16-/m1/s1
InChIKeyZDYWLRIXAHSYLL-ZLXOECBPSA-N
XLogP2.10
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 13334345
methyl (5aS,6aR,9R)-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 14107802
(6aR,9R)-N'-(benzenesulfonyl)-N,7-dimethyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide
CID 170723245
2,2a,3,4-tetrahydro-1H-benzo[cd]indol-5-one;hydrochloride
CID 75481080
(6aR,9R)-6-benzyl-7-methyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 154117189
(6aR,9R)-7-[5-[[(6aR,9R)-7-propyl-5,5a,6,6a,8,9-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-ethylamino]pentyl]-N-ethyl-N-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577839
1,2,2a,3-tetrahydrobenzo[cd]indole-3-carboxylic acid
CID 151968485
N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide
CID 122390964
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
3-(4-chloro-2,3-dihydro-1H-indol-3-yl)-2-methylpropanoic acid
CID 117200012
N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 113472799

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 164584950) is (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide is CC(C)NC(=O)[C@@H]1C=C2c3cccc4c3C(CN4)C[C@H]2NC1.
What is the InChIKey of (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is ZDYWLRIXAHSYLL-ZLXOECBPSA-N. The full InChI is InChI=1S/C18H23N3O/c1-10(2)21-18(22)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)20-9-12/h3-6,10-12,16,19-20H,7-9H2,1-2H3,(H,21,22)/t11?,12-,16-/m1/s1.
What are the key properties of (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-propan-2-yl-4,5,5a,6,6a,7,8,9-octahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 164584950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).