2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide

C29H38N2O2 — CID 91332959

IUPAC2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCC1(C(N)=O)CC1(c1ccccc1)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C29H38N2O2/c1-26-15-7-10-21(26)20-11-12-23-27(2,22(20)13-16-26)17-14-24(32)31(23)29(18-28(29,3)25(30)33)19-8-5-4-6-9-19/h4-6,8-9,14,17,20-23H,7,10-13,15-16,18H2,1-3H3,(H2,30,33)/t20-,21-,22+,23?,26-,27+,28?,29?/m0/s1
InChIKeyHLAAWIUHCBVCSX-PSNWNRJASA-N
MW446.64 g/mol
LogP5.18
Rot. Bonds3

About 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide

2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 91332959) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID91332959
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCC1(C(N)=O)CC1(c1ccccc1)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C29H38N2O2/c1-26-15-7-10-21(26)20-11-12-23-27(2,22(20)13-16-26)17-14-24(32)31(23)29(18-28(29,3)25(30)33)19-8-5-4-6-9-19/h4-6,8-9,14,17,20-23H,7,10-13,15-16,18H2,1-3H3,(H2,30,33)/t20-,21-,22+,23?,26-,27+,28?,29?/m0/s1
InChIKeyHLAAWIUHCBVCSX-PSNWNRJASA-N
XLogP5.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-(2-chlorophenyl)propanamide
CID 90967075
2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
CID 91383618
N-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-3-(2-chlorophenyl)butanamide
CID 91215746
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(4-tert-butylphenyl)cyclopentyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67596262
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-N-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67599052
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(2,4-dichlorophenyl)cyclopropyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67596636
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-(1,3-benzodioxol-5-yl)cyclohexyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 57142621
N-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-4-hydroxy-N,2-dimethylbenzenesulfonamide
CID 91371771
(3aS,3bS,9aS,9bR,11aS)-N,N-dibenzyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-8-carboxamide
CID 57043120
(3aS,3bS,5aR,9aR,9bS,11aS)-N-[1-[4-tert-butyl-2-(trifluoromethyl)phenyl]cyclopentyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-6-carboxamide
CID 67597490
(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
(3aS,3bS,9aS,9bR,11aS)-N-(2-methoxyphenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-8-carboxamide
CID 57015500

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide (CID 91332959) is 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide is CC1(C(N)=O)CC1(c1ccccc1)N1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12.
What is the InChIKey of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HLAAWIUHCBVCSX-PSNWNRJASA-N. The full InChI is InChI=1S/C29H38N2O2/c1-26-15-7-10-21(26)20-11-12-23-27(2,22(20)13-16-26)17-14-24(32)31(23)29(18-28(29,3)25(30)33)19-8-5-4-6-9-19/h4-6,8-9,14,17,20-23H,7,10-13,15-16,18H2,1-3H3,(H2,30,33)/t20-,21-,22+,23?,26-,27+,28?,29?/m0/s1.
What are the key properties of 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-yl]-1-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 91332959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).