(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C22H32N4O — CID 71528205

IUPAC(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
InChIInChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1
InChIKeyZURHOOYLDKXCGA-YVWKXTFCSA-N
MW368.53 g/mol
LogP2.21
Rot. Bonds5

About (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 71528205) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID71528205
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1
InChIInChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1
InChIKeyZURHOOYLDKXCGA-YVWKXTFCSA-N
XLogP2.21
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 71528205) is (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.
What is the InChIKey of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is ZURHOOYLDKXCGA-YVWKXTFCSA-N. The full InChI is InChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1.
What are the key properties of (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 71528205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).