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

C28H38N2O2 — CID 69051658

IUPAC(1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4ccccc4C)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C28H38N2O2/c1-17-8-6-7-9-23(17)29-26(32)22-11-10-20-19-16-18(2)25-28(4,15-13-24(31)30(25)5)21(19)12-14-27(20,22)3/h6-9,19-22H,10-16H2,1-5H3,(H,29,32)/t19-,20-,21-,22+,27-,28+/m0/s1
InChIKeyYYZGLRHOLJHBSR-BYYSURRCSA-N
MW434.62 g/mol
LogP5.93
Rot. Bonds2

About (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (PubChem CID 69051658) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID69051658
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
SMILESCC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4ccccc4C)CC[C@H]3[C@@H]2C1
InChIInChI=1S/C28H38N2O2/c1-17-8-6-7-9-23(17)29-26(32)22-11-10-20-19-16-18(2)25-28(4,15-13-24(31)30(25)5)21(19)12-14-27(20,22)3/h6-9,19-22H,10-16H2,1-5H3,(H,29,32)/t19-,20-,21-,22+,27-,28+/m0/s1
InChIKeyYYZGLRHOLJHBSR-BYYSURRCSA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide (CID 69051658) is (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide is CC1=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Nc4ccccc4C)CC[C@H]3[C@@H]2C1.
What is the InChIKey of (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is YYZGLRHOLJHBSR-BYYSURRCSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-17-8-6-7-9-23(17)29-26(32)22-11-10-20-19-16-18(2)25-28(4,15-13-24(31)30(25)5)21(19)12-14-27(20,22)3/h6-9,19-22H,10-16H2,1-5H3,(H,29,32)/t19-,20-,21-,22+,27-,28+/m0/s1.
What are the key properties of (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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 434.62 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,9aR,9bS,11aS)-5,6,9a,11a-tetramethyl-N-(2-methylphenyl)-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 69051658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).