(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

C23H29N3O — CID 166038736

IUPAC(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)N(CC)CC)C=C2c3cccc4[nH]cc(c34)C[C@]21C
InChIInChI=1S/C23H29N3O/c1-5-11-26-15-16(22(27)25(6-2)7-3)12-19-18-9-8-10-20-21(18)17(14-24-20)13-23(19,26)4/h5,8-10,12,14,16,24H,1,6-7,11,13,15H2,2-4H3/t16-,23-/m1/s1
InChIKeyQIUIXWAKJISPJC-WAIKUNEKSA-N
MW363.51 g/mol
LogP3.85
Rot. Bonds5

About (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 166038736) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID166038736
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESC=CCN1C[C@H](C(=O)N(CC)CC)C=C2c3cccc4[nH]cc(c34)C[C@]21C
InChIInChI=1S/C23H29N3O/c1-5-11-26-15-16(22(27)25(6-2)7-3)12-19-18-9-8-10-20-21(18)17(14-24-20)13-23(19,26)4/h5,8-10,12,14,16,24H,1,6-7,11,13,15H2,2-4H3/t16-,23-/m1/s1
InChIKeyQIUIXWAKJISPJC-WAIKUNEKSA-N
XLogP3.85
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6aR,9R)-N,N-diethyl-6a-methyl-7-[(3-methylphenyl)methyl]-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 172578083
(9R)-N,N-diethyl-7-[(2-methoxyphenyl)methyl]-6a-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 171536868
[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 166092004
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;1-chloropyrrolidine-2,5-dione
CID 174850219
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
(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
(6aR,9R)-7-cyclopentyl-N,N-diethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 178007443
(6aR)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 22294663
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;2-methylidenebutanoic acid
CID 174919189
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;copper;sulfuric acid;thiourea
CID 174792691
bis((6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);2,3-dihydroxybutanedioic acid
CID 154730847

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 166038736) is (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is C=CCN1C[C@H](C(=O)N(CC)CC)C=C2c3cccc4[nH]cc(c34)C[C@]21C.
What is the InChIKey of (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is QIUIXWAKJISPJC-WAIKUNEKSA-N. The full InChI is InChI=1S/C23H29N3O/c1-5-11-26-15-16(22(27)25(6-2)7-3)12-19-18-9-8-10-20-21(18)17(14-24-20)13-23(19,26)4/h5,8-10,12,14,16,24H,1,6-7,11,13,15H2,2-4H3/t16-,23-/m1/s1.
What are the key properties of (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 166038736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).