potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate

C20H29KN3NaO2 — CID 174919313

IUPACpotassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C20H25N3O.K.Na.H2O.2H/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;;;;;/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;;;1H2;;/q;2*+1;;2*-1/t14-,18-;;;;;/m1...../s1
InChIKeyCZLQUIBSOCCHEP-OKDPUKRASA-N
MW405.56 g/mol
LogP-3.69
Rot. Bonds3

About potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate

potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate (PubChem CID 174919313) has the molecular formula C20H29KN3NaO2 and a molecular weight of 405.56 g/mol. Its IUPAC name is potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate.

Molecular Properties

Compound Namepotassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
PubChem CID174919313
Molecular FormulaC20H29KN3NaO2
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Namepotassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C20H25N3O.K.Na.H2O.2H/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;;;;;/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;;;1H2;;/q;2*+1;;2*-1/t14-,18-;;;;;/m1...../s1
InChIKeyCZLQUIBSOCCHEP-OKDPUKRASA-N
XLogP-3.69
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 5-3.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate?
The IUPAC name of 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) is potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate.
What is the SMILES notation for potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate?
The canonical SMILES for potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate is CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate?
The InChIKey is CZLQUIBSOCCHEP-OKDPUKRASA-N. The full InChI is InChI=1S/C20H25N3O.K.Na.H2O.2H/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;;;;;/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;;;1H2;;/q;2*+1;;2*-1/t14-,18-;;;;;/m1...../s1.
What are the key properties of potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate?
potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate has a molecular weight of 405.56 g/mol, XLogP of -3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;hydride;hydrate is sourced from PubChem (CID 174919313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).