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

C24H38N2O3 — CID 67857520

IUPAC(3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCC(C)CNC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3C(O)C[C@]12C
InChIInChI=1S/C24H38N2O3/c1-14(2)13-25-22(29)17-8-7-16-15-6-9-19-23(3,11-10-20(28)26(19)5)21(15)18(27)12-24(16,17)4/h10-11,14-19,21,27H,6-9,12-13H2,1-5H3,(H,25,29)/t15-,16-,17?,18?,19?,21-,23-,24-/m0/s1
InChIKeyZENSUAKVIMKUFA-WWYAPDLMSA-N
MW402.58 g/mol
LogP2.98
Rot. Bonds3

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

(3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67857520) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID67857520
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCC(C)CNC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3C(O)C[C@]12C
InChIInChI=1S/C24H38N2O3/c1-14(2)13-25-22(29)17-8-7-16-15-6-9-19-23(3,11-10-20(28)26(19)5)21(15)18(27)12-24(16,17)4/h10-11,14-19,21,27H,6-9,12-13H2,1-5H3,(H,25,29)/t15-,16-,17?,18?,19?,21-,23-,24-/m0/s1
InChIKeyZENSUAKVIMKUFA-WWYAPDLMSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 67857520) is (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is CC(C)CNC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3C(O)C[C@]12C.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is ZENSUAKVIMKUFA-WWYAPDLMSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-14(2)13-25-22(29)17-8-7-16-15-6-9-19-23(3,11-10-20(28)26(19)5)21(15)18(27)12-24(16,17)4/h10-11,14-19,21,27H,6-9,12-13H2,1-5H3,(H,25,29)/t15-,16-,17?,18?,19?,21-,23-,24-/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
(3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-10-hydroxy-6,9a,11a-trimethyl-N-(2-methylpropyl)-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 67857520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).