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

C28H37ClN2O2 — CID 91215746

IUPACN-[(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
SMILESCC(CC(=O)NN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12)c1ccccc1Cl
InChIInChI=1S/C28H37ClN2O2/c1-18(19-7-4-5-9-23(19)29)17-25(32)30-31-24-11-10-20-21-8-6-14-27(21,2)15-12-22(20)28(24,3)16-13-26(31)33/h4-5,7,9,13,16,18,20-22,24H,6,8,10-12,14-15,17H2,1-3H3,(H,30,32)/t18?,20-,21-,22+,24?,27-,28+/m0/s1
InChIKeyGGRMCYZYCUUDNG-JUMOEMRFSA-N
MW469.07 g/mol
LogP6.26
Rot. Bonds4

About 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

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 (PubChem CID 91215746) has the molecular formula C28H37ClN2O2 and a molecular weight of 469.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID91215746
Molecular FormulaC28H37ClN2O2
Molecular Weight469.07 g/mol
Exact Mass468.25
IUPAC NameN-[(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
SMILESCC(CC(=O)NN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12)c1ccccc1Cl
InChIInChI=1S/C28H37ClN2O2/c1-18(19-7-4-5-9-23(19)29)17-25(32)30-31-24-11-10-20-21-8-6-14-27(21,2)15-12-22(20)28(24,3)16-13-26(31)33/h4-5,7,9,13,16,18,20-22,24H,6,8,10-12,14-15,17H2,1-3H3,(H,30,32)/t18?,20-,21-,22+,24?,27-,28+/m0/s1
InChIKeyGGRMCYZYCUUDNG-JUMOEMRFSA-N
XLogP6.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.07
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CC(=O)NN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12)c1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is GGRMCYZYCUUDNG-JUMOEMRFSA-N. The full InChI is InChI=1S/C28H37ClN2O2/c1-18(19-7-4-5-9-23(19)29)17-25(32)30-31-24-11-10-20-21-8-6-14-27(21,2)15-12-22(20)28(24,3)16-13-26(31)33/h4-5,7,9,13,16,18,20-22,24H,6,8,10-12,14-15,17H2,1-3H3,(H,30,32)/t18?,20-,21-,22+,24?,27-,28+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 469.07 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91215746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).