(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide

C27H41N3O3 — CID 91533879

IUPAC(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
SMILESCN1C(=O)C(C(=O)NCCCN2CCCC2=O)=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C27H41N3O3/c1-26-12-4-7-20(26)18-9-10-22-27(2,21(18)11-13-26)17-19(25(33)29(22)3)24(32)28-14-6-16-30-15-5-8-23(30)31/h17-18,20-22H,4-16H2,1-3H3,(H,28,32)/t18-,20-,21+,22?,26-,27+/m0/s1
InChIKeySZTOCDVLDUOLKZ-WYVBAWDZSA-N
MW455.64 g/mol
LogP3.51
Rot. Bonds5

About (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide

(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide (PubChem CID 91533879) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide.

Molecular Properties

Compound Name(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
PubChem CID91533879
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
SMILESCN1C(=O)C(C(=O)NCCCN2CCCC2=O)=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C27H41N3O3/c1-26-12-4-7-20(26)18-9-10-22-27(2,21(18)11-13-26)17-19(25(33)29(22)3)24(32)28-14-6-16-30-15-5-8-23(30)31/h17-18,20-22H,4-16H2,1-3H3,(H,28,32)/t18-,20-,21+,22?,26-,27+/m0/s1
InChIKeySZTOCDVLDUOLKZ-WYVBAWDZSA-N
XLogP3.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide with MolForge

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Related Compounds

methyl (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxylate
CID 57194997
(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-(2-phenylpropyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
CID 90927141
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
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3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 70740259
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
N-[(3aS,3bS,9aS,9bR,11aS)-8-(2-chlorophenyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide?
The IUPAC name of (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide (CID 91533879) is (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide.
What is the SMILES notation for (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide?
The canonical SMILES for (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide is CN1C(=O)C(C(=O)NCCCN2CCCC2=O)=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12.
What is the InChIKey of (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide?
The InChIKey is SZTOCDVLDUOLKZ-WYVBAWDZSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-26-12-4-7-20(26)18-9-10-22-27(2,21(18)11-13-26)17-19(25(33)29(22)3)24(32)28-14-6-16-30-15-5-8-23(30)31/h17-18,20-22H,4-16H2,1-3H3,(H,28,32)/t18-,20-,21+,22?,26-,27+/m0/s1.
What are the key properties of (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide?
(3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide has a molecular weight of 455.64 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aS,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide is sourced from PubChem (CID 91533879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).