N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide

C21H28N4O2 — CID 170723019

IUPACN'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide
SMILESCOCCCNN(C)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1
InChIInChI=1S/C21H28N4O2/c1-24-13-15(21(26)25(2)23-8-5-9-27-3)10-17-16-6-4-7-18-20(16)14(12-22-18)11-19(17)24/h4,6-7,10,12,15,19,22-23H,5,8-9,11,13H2,1-3H3
InChIKeyNTISKRBRQHTABI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.04
Rot. Bonds6

About N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide

N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide (PubChem CID 170723019) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide
PubChem CID170723019
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide
SMILESCOCCCNN(C)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1
InChIInChI=1S/C21H28N4O2/c1-24-13-15(21(26)25(2)23-8-5-9-27-3)10-17-16-6-4-7-18-20(16)14(12-22-18)11-19(17)24/h4,6-7,10,12,15,19,22-23H,5,8-9,11,13H2,1-3H3
InChIKeyNTISKRBRQHTABI-UHFFFAOYSA-N
XLogP2.04
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide with MolForge

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Related Compounds

N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 53463870
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
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
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;2-(2-hydroxyethoxy)ethanol
CID 174812204
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methyl 2-methylprop-2-enoate
CID 174928329
potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
CID 174919313
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
N-butoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170723225
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;ethene;propane-1,3-diol
CID 174860696

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide?
The IUPAC name of N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide (CID 170723019) is N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide.
What is the SMILES notation for N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide?
The canonical SMILES for N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide is COCCCNN(C)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1.
What is the InChIKey of N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide?
The InChIKey is NTISKRBRQHTABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24-13-15(21(26)25(2)23-8-5-9-27-3)10-17-16-6-4-7-18-20(16)14(12-22-18)11-19(17)24/h4,6-7,10,12,15,19,22-23H,5,8-9,11,13H2,1-3H3.
What are the key properties of N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide?
N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide has a molecular weight of 368.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N,7-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbohydrazide is sourced from PubChem (CID 170723019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).