[(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate

C23H38N2O3 — CID 67778490

IUPAC[(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate
SMILESCCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(COC(=O)NC)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C23H38N2O3/c1-5-25-19-9-7-16-17-8-6-15(14-28-21(27)24-4)22(17,2)12-10-18(16)23(19,3)13-11-20(25)26/h15-19H,5-14H2,1-4H3,(H,24,27)/t15?,16-,17-,18-,19+,22+,23+/m0/s1
InChIKeyXPEWUJNMXKKERB-FGDMRWNXSA-N
MW390.57 g/mol
LogP4.21
Rot. Bonds3

About [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate

[(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate (PubChem CID 67778490) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate
PubChem CID67778490
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC Name[(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate
SMILESCCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(COC(=O)NC)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C23H38N2O3/c1-5-25-19-9-7-16-17-8-6-15(14-28-21(27)24-4)22(17,2)12-10-18(16)23(19,3)13-11-20(25)26/h15-19H,5-14H2,1-4H3,(H,24,27)/t15?,16-,17-,18-,19+,22+,23+/m0/s1
InChIKeyXPEWUJNMXKKERB-FGDMRWNXSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate with MolForge

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Related Compounds

(3aS,3bS,9aR,9bR,11aS)-6-ethyl-N-(2-methoxyphenyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 69355607
[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl 2-(4-propan-2-ylphenyl)acetate
CID 57017687
[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl 2-(1H-indol-3-yl)acetate
CID 57275638
1-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-octylurea
CID 57224436
(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(3-propan-2-ylsulfanylpropoxymethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 22879788
N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide
CID 67614417
1-[1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl]-3-methylurea
CID 22871968
1-[[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-3-phenylurea
CID 22871992
(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(3-oxo-3-phenylpropyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67675438
(3aS,3bS,9aR,9bR,11aS)-N,N-diethyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 57178579
(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 118718167
(1R,3aS,3bS,9aR,9bS,11aR)-6,9a,11a-trimethyl-1-(2-oxo-2-thiophen-2-ylethyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 67676435

Frequently Asked Questions

What is the IUPAC name of [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate?
The IUPAC name of [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate (CID 67778490) is [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate.
What is the SMILES notation for [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate?
The canonical SMILES for [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate is CCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(COC(=O)NC)CC[C@H]4[C@@H]3CC[C@@H]12.
What is the InChIKey of [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate?
The InChIKey is XPEWUJNMXKKERB-FGDMRWNXSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-5-25-19-9-7-16-17-8-6-15(14-28-21(27)24-4)22(17,2)12-10-18(16)23(19,3)13-11-20(25)26/h15-19H,5-14H2,1-4H3,(H,24,27)/t15?,16-,17-,18-,19+,22+,23+/m0/s1.
What are the key properties of [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate?
[(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate has a molecular weight of 390.57 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,3bS,5aR,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl N-methylcarbamate is sourced from PubChem (CID 67778490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).