N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide

C28H37ClN2O2 — CID 91130377

IUPACN-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2C(NC(=O)CCc2ccccc2Cl)C[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C28H37ClN2O2/c1-27-15-6-8-20(27)19-11-12-23-28(2,16-14-25(33)31(23)3)26(19)22(17-27)30-24(32)13-10-18-7-4-5-9-21(18)29/h4-5,7,9,14,16,19-20,22-23,26H,6,8,10-13,15,17H2,1-3H3,(H,30,32)/t19-,20-,22?,23?,26-,27-,28-/m0/s1
InChIKeyPRUSVIINQNUECA-IENUGYDLSA-N
MW469.07 g/mol
LogP5.40
Rot. Bonds4

About N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide

N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide (PubChem CID 91130377) has the molecular formula C28H37ClN2O2 and a molecular weight of 469.07 g/mol. Its IUPAC name is N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide
PubChem CID91130377
Molecular FormulaC28H37ClN2O2
Molecular Weight469.07 g/mol
Exact Mass468.25
IUPAC NameN-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2C(NC(=O)CCc2ccccc2Cl)C[C@]2(C)CCC[C@@H]12
InChIInChI=1S/C28H37ClN2O2/c1-27-15-6-8-20(27)19-11-12-23-28(2,16-14-25(33)31(23)3)26(19)22(17-27)30-24(32)13-10-18-7-4-5-9-21(18)29/h4-5,7,9,14,16,19-20,22-23,26H,6,8,10-13,15,17H2,1-3H3,(H,30,32)/t19-,20-,22?,23?,26-,27-,28-/m0/s1
InChIKeyPRUSVIINQNUECA-IENUGYDLSA-N
XLogP5.40
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 ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide (CID 91130377) is N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide is CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2C(NC(=O)CCc2ccccc2Cl)C[C@]2(C)CCC[C@@H]12.
What is the InChIKey of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide?
The InChIKey is PRUSVIINQNUECA-IENUGYDLSA-N. The full InChI is InChI=1S/C28H37ClN2O2/c1-27-15-6-8-20(27)19-11-12-23-28(2,16-14-25(33)31(23)3)26(19)22(17-27)30-24(32)13-10-18-7-4-5-9-21(18)29/h4-5,7,9,14,16,19-20,22-23,26H,6,8,10-13,15,17H2,1-3H3,(H,30,32)/t19-,20-,22?,23?,26-,27-,28-/m0/s1.
What are the key properties of N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide?
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide has a molecular weight of 469.07 g/mol, XLogP of 5.40, 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)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-10-yl]-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 91130377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).