(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C24H28N4O — CID 57074368

IUPAC(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)NCCc2ccccn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C24H28N4O/c1-27-14-16-13-22-20(19-7-5-8-21(27)23(16)19)12-17(15-28(22)2)24(29)26-11-9-18-6-3-4-10-25-18/h3-8,10,14,17,20,22H,9,11-13,15H2,1-2H3,(H,26,29)/t17?,20-,22-/m1/s1
InChIKeyLUWCLZCOZALXCL-SXHSKPAUSA-N
MW388.52 g/mol
LogP2.89
Rot. Bonds4

About (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 57074368) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID57074368
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)NCCc2ccccn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C24H28N4O/c1-27-14-16-13-22-20(19-7-5-8-21(27)23(16)19)12-17(15-28(22)2)24(29)26-11-9-18-6-3-4-10-25-18/h3-8,10,14,17,20,22H,9,11-13,15H2,1-2H3,(H,26,29)/t17?,20-,22-/m1/s1
InChIKeyLUWCLZCOZALXCL-SXHSKPAUSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;hydrochloride
CID 70365367
(6aR,9R)-4,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 56619314
(6aR,9R,10aR)-7-methyl-4-propan-2-yl-N-(pyridin-3-ylmethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 14653085
3-hydroxybutan-2-yl (6aR,9R)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 23844126
(6aR,9R)-4-butyl-N,7-dimethyl-N-(3-pyridin-2-ylbutan-2-yl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 54108968
(6aR,9R)-4-butyl-N-(4-hydroxycyclohexyl)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 70362746
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
(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
benzyl N-[(6aR,9R)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-N-methylcarbamate
CID 91507582
1-benzhydryl-N-(2-pyridin-2-ylethyl)azetidine-3-carboxamide
CID 71702513
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 57074368) is (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CN1CC(C(=O)NCCc2ccccn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21.
What is the InChIKey of (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is LUWCLZCOZALXCL-SXHSKPAUSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27-14-16-13-22-20(19-7-5-8-21(27)23(16)19)12-17(15-28(22)2)24(29)26-11-9-18-6-3-4-10-25-18/h3-8,10,14,17,20,22H,9,11-13,15H2,1-2H3,(H,26,29)/t17?,20-,22-/m1/s1.
What are the key properties of (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-4,7-dimethyl-N-(2-pyridin-2-ylethyl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 57074368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).