(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

C25H32N2O2 — CID 10363135

IUPAC(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
SMILESC[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3)CCC12
InChIInChI=1S/C25H32N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,26,29)(H,27,28)/t17?,18?,19?,20?,21?,24-,25+/m0/s1
InChIKeyVSFAEOLUWMPHBZ-GXSBFMHBSA-N
MW392.54 g/mol
LogP4.54
Rot. Bonds2

About (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (PubChem CID 10363135) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

Compound Name(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
PubChem CID10363135
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
SMILESC[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3)CCC12
InChIInChI=1S/C25H32N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,26,29)(H,27,28)/t17?,18?,19?,20?,21?,24-,25+/m0/s1
InChIKeyVSFAEOLUWMPHBZ-GXSBFMHBSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide with MolForge

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Related Compounds

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(1S,9aR,11aS)-N-(2,5-ditert-butylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
CID 24986523
(1S,9aR,11aS)-N-(3,5-ditert-butylphenyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridine-1-carboxamide
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CID 44338440
Epipachysamine D
CID 10433924
(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 9981699
(9aR,11aS)-9a,11a-dimethyl-N-naphthalen-1-yl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 10049013
(1S,9aR,11aS)-9a,11a-dimethyl-7-oxo-N-(3-phenylphenyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44274870
(1S,9aR,11aS)-9a,11a-dimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44274932
(1S,9aR,11aS)-9a,11a-dimethyl-N-naphthalen-1-yl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 44275204

Frequently Asked Questions

What is the IUPAC name of (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?
The IUPAC name of (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 10363135) is (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.
What is the SMILES notation for (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?
The canonical SMILES for (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide is C[C@]12C=CC(=O)NC1CCC1C2CC[C@]2(C)C(C(=O)Nc3ccccc3)CCC12.
What is the InChIKey of (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?
The InChIKey is VSFAEOLUWMPHBZ-GXSBFMHBSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,26,29)(H,27,28)/t17?,18?,19?,20?,21?,24-,25+/m0/s1.
What are the key properties of (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide?
(9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR,11aS)-9a,11a-dimethyl-7-oxo-N-phenyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 10363135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).