(6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C24H26N4O — CID 166091983

IUPAC(6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccn2)C1
InChIInChI=1S/C24H26N4O/c1-3-27(2)24(29)17-11-20-19-8-6-9-21-23(19)16(13-26-21)12-22(20)28(14-17)15-18-7-4-5-10-25-18/h4-11,13,17,22,26H,3,12,14-15H2,1-2H3/t17-,22-/m1/s1
InChIKeyXCATXQQLLBKGOW-VGOFRKELSA-N
MW386.50 g/mol
LogP3.48
Rot. Bonds4

About (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 166091983) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID166091983
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccn2)C1
InChIInChI=1S/C24H26N4O/c1-3-27(2)24(29)17-11-20-19-8-6-9-21-23(19)16(13-26-21)12-22(20)28(14-17)15-18-7-4-5-10-25-18/h4-11,13,17,22,26H,3,12,14-15H2,1-2H3/t17-,22-/m1/s1
InChIKeyXCATXQQLLBKGOW-VGOFRKELSA-N
XLogP3.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(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)-7-benzyl-N,N-dimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577893
(6aR,9R)-N,N-diethyl-7-(pyridazin-4-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 172577965
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
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
(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
(6aR,9R)-N-ethenyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54085403
(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
methyl (6aR)-7-(cyclopropylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57180445
(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hexadecanedioic acid
CID 174864817

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 166091983) is (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2ccccn2)C1.
What is the InChIKey of (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is XCATXQQLLBKGOW-VGOFRKELSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-27(2)24(29)17-11-20-19-8-6-9-21-23(19)16(13-26-21)12-22(20)28(14-17)15-18-7-4-5-10-25-18/h4-11,13,17,22,26H,3,12,14-15H2,1-2H3/t17-,22-/m1/s1.
What are the key properties of (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-ethyl-N-methyl-7-(pyridin-2-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 166091983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).