(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

C28H38N2O3 — CID 69056220

IUPAC(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC(C)=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H38N2O3/c1-17-16-18-19-10-11-21(26(32)29-22-8-6-7-9-23(22)33-5)27(19,2)14-12-20(18)28(3)15-13-24(31)30(4)25(17)28/h6-9,18-21H,10-16H2,1-5H3,(H,29,32)/t18-,19-,20-,21+,27-,28+/m0/s1
InChIKeyZQVCNKWOQHCYPE-MYSHCGMSSA-N
MW450.62 g/mol
LogP5.63
Rot. Bonds3

About (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 69056220) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

Compound Name(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID69056220
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC(C)=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H38N2O3/c1-17-16-18-19-10-11-21(26(32)29-22-8-6-7-9-23(22)33-5)27(19,2)14-12-20(18)28(3)15-13-24(31)30(4)25(17)28/h6-9,18-21H,10-16H2,1-5H3,(H,29,32)/t18-,19-,20-,21+,27-,28+/m0/s1
InChIKeyZQVCNKWOQHCYPE-MYSHCGMSSA-N
XLogP5.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,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 (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 69056220) is (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.
What is the SMILES notation for (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The canonical SMILES for (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is COc1ccccc1NC(=O)[C@H]1CC[C@H]2[C@@H]3CC(C)=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is ZQVCNKWOQHCYPE-MYSHCGMSSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-17-16-18-19-10-11-21(26(32)29-22-8-6-7-9-23(22)33-5)27(19,2)14-12-20(18)28(3)15-13-24(31)30(4)25(17)28/h6-9,18-21H,10-16H2,1-5H3,(H,29,32)/t18-,19-,20-,21+,27-,28+/m0/s1.
What are the key properties of (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
(1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 450.62 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,9aR,9bS,11aS)-N-(2-methoxyphenyl)-5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 69056220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).