(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C23H24FN3O — CID 174159021

IUPAC(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC#CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CC(=C)F)C1
InChIInChI=1S/C23H24FN3O/c1-4-9-26(5-2)23(28)17-10-19-18-7-6-8-20-22(18)16(12-25-20)11-21(19)27(14-17)13-15(3)24/h1,6-8,10,12,17,21,25H,3,5,9,11,13-14H2,2H3/t17-,21-/m1/s1
InChIKeyVVAFTWZVAAWPCP-DYESRHJHSA-N
MW377.46 g/mol
LogP3.37
Rot. Bonds5

About (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 174159021) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID174159021
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC#CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CC(=C)F)C1
InChIInChI=1S/C23H24FN3O/c1-4-9-26(5-2)23(28)17-10-19-18-7-6-8-20-22(18)16(12-25-20)11-21(19)27(14-17)13-15(3)24/h1,6-8,10,12,17,21,25H,3,5,9,11,13-14H2,2H3/t17-,21-/m1/s1
InChIKeyVVAFTWZVAAWPCP-DYESRHJHSA-N
XLogP3.37
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(9R)-N,N-bis(2-fluoroethyl)-7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577939
(6aR,9R)-N,N-diethyl-7-(pyridazin-4-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577965
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;2-methylidenebutanoic acid
CID 174919189
(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577856
(6aR,9R)-N-ethyl-7-methyl-N-(2,2,2-trifluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 163187757
(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
(6aS,9R)-N-ethyl-N-(2-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 166138526
(9R)-N,N-diethyl-7-(pyrimidin-4-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172578041
(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

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 174159021) is (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is C#CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(CC(=C)F)C1.
What is the InChIKey of (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is VVAFTWZVAAWPCP-DYESRHJHSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-4-9-26(5-2)23(28)17-10-19-18-7-6-8-20-22(18)16(12-25-20)11-21(19)27(14-17)13-15(3)24/h1,6-8,10,12,17,21,25H,3,5,9,11,13-14H2,2H3/t17-,21-/m1/s1.
What are the key properties of (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-ethyl-7-(2-fluoroprop-2-enyl)-N-prop-2-ynyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 174159021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).