2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide

C24H37N3O4 — CID 11293371

IUPAC2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide
SMILESCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NC(CO)C(N)=O)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C24H37N3O4/c1-23-10-8-17-15(5-7-19-24(17,2)11-9-21(30)27(19)3)16(23)6-4-14(23)12-20(29)26-18(13-28)22(25)31/h9,11,14-19,28H,4-8,10,12-13H2,1-3H3,(H2,25,31)(H,26,29)/t14-,15+,16+,17+,18?,19-,23-,24-/m1/s1
InChIKeyLFUUDMWIFLSDFG-VCDZQAMQSA-N
MW431.58 g/mol
LogP1.59
Rot. Bonds5

About 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide

2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide (PubChem CID 11293371) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide
PubChem CID11293371
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide
SMILESCN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NC(CO)C(N)=O)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C24H37N3O4/c1-23-10-8-17-15(5-7-19-24(17,2)11-9-21(30)27(19)3)16(23)6-4-14(23)12-20(29)26-18(13-28)22(25)31/h9,11,14-19,28H,4-8,10,12-13H2,1-3H3,(H2,25,31)(H,26,29)/t14-,15+,16+,17+,18?,19-,23-,24-/m1/s1
InChIKeyLFUUDMWIFLSDFG-VCDZQAMQSA-N
XLogP1.59
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide with MolForge

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Related Compounds

3-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-4,4,4-trifluorobutanoic acid
CID 11420333
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(1-azabicyclo[2.2.2]octan-2-yl)acetamide
CID 11775375
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-[(3,5-dichlorophenyl)methyl]acetamide
CID 11306656
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-pyrazin-2-ylacetamide
CID 11201022
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 68907062
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2,6-diamino-3-pyridinyl)acetamide
CID 68669359
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
CID 11295063
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(4-cyanophenyl)acetamide
CID 68669439
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11339905
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 68905234
2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 68669356
2-[(1R,9aR,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]-N-quinoxalin-6-ylacetamide
CID 11248460

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide?
The IUPAC name of 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide (CID 11293371) is 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide?
The canonical SMILES for 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide is CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC(=O)NC(CO)C(N)=O)CC[C@H]4[C@@H]3CC[C@@H]12.
What is the InChIKey of 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide?
The InChIKey is LFUUDMWIFLSDFG-VCDZQAMQSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-23-10-8-17-15(5-7-19-24(17,2)11-9-21(30)27(19)3)16(23)6-4-14(23)12-20(29)26-18(13-28)22(25)31/h9,11,14-19,28H,4-8,10,12-13H2,1-3H3,(H2,25,31)(H,26,29)/t14-,15+,16+,17+,18?,19-,23-,24-/m1/s1.
What are the key properties of 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide?
2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide has a molecular weight of 431.58 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1R,3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]acetyl]amino]-3-hydroxypropanamide is sourced from PubChem (CID 11293371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).