(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

C23H32N4O2 — CID 167428238

IUPAC(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)N(OCCCN(C)C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1
InChIInChI=1S/C23H32N4O2/c1-15(2)27(29-10-6-9-26(3)4)23(28)17-11-19-18-7-5-8-20-22(18)16(13-24-20)12-21(19)25-14-17/h5,7-8,11,13,15,17,21,24-25H,6,9-10,12,14H2,1-4H3/t17-,21-/m1/s1
InChIKeyRFKBDMGQHWWMBV-DYESRHJHSA-N
MW396.54 g/mol
LogP2.82
Rot. Bonds7

About (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 167428238) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID167428238
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILESCC(C)N(OCCCN(C)C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1
InChIInChI=1S/C23H32N4O2/c1-15(2)27(29-10-6-9-26(3)4)23(28)17-11-19-18-7-5-8-20-22(18)16(13-24-20)12-21(19)25-14-17/h5,7-8,11,13,15,17,21,24-25H,6,9-10,12,14H2,1-4H3/t17-,21-/m1/s1
InChIKeyRFKBDMGQHWWMBV-DYESRHJHSA-N
XLogP2.82
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 167428238) is (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is CC(C)N(OCCCN(C)C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2NC1.
What is the InChIKey of (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is RFKBDMGQHWWMBV-DYESRHJHSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-15(2)27(29-10-6-9-26(3)4)23(28)17-11-19-18-7-5-8-20-22(18)16(13-24-20)12-21(19)25-14-17/h5,7-8,11,13,15,17,21,24-25H,6,9-10,12,14H2,1-4H3/t17-,21-/m1/s1.
What are the key properties of (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N-[3-(dimethylamino)propoxy]-N-propan-2-yl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 167428238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).