(3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

C24H39NO — CID 67634201

IUPAC(3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCC(C)CC1CC[C@H]2[C@@H]3C(C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C24H39NO/c1-15(2)13-17-7-8-18-22-16(3)14-20-24(5,12-10-21(26)25(20)6)19(22)9-11-23(17,18)4/h14-19,22H,7-13H2,1-6H3/t16?,17?,18-,19+,22-,23+,24+/m0/s1
InChIKeyDEZORDNZPCCWHA-GTGVICJZSA-N
MW357.58 g/mol
LogP5.88
Rot. Bonds2

About (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

(3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 67634201) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID67634201
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name(3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCC(C)CC1CC[C@H]2[C@@H]3C(C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C24H39NO/c1-15(2)13-17-7-8-18-22-16(3)14-20-24(5,12-10-21(26)25(20)6)19(22)9-11-23(17,18)4/h14-19,22H,7-13H2,1-6H3/t16?,17?,18-,19+,22-,23+,24+/m0/s1
InChIKeyDEZORDNZPCCWHA-GTGVICJZSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (CID 67634201) is (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is CC(C)CC1CC[C@H]2[C@@H]3C(C)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is DEZORDNZPCCWHA-GTGVICJZSA-N. The full InChI is InChI=1S/C24H39NO/c1-15(2)13-17-7-8-18-22-16(3)14-20-24(5,12-10-21(26)25(20)6)19(22)9-11-23(17,18)4/h14-19,22H,7-13H2,1-6H3/t16?,17?,18-,19+,22-,23+,24+/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
(3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 357.58 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aR)-4,6,9a,11a-tetramethyl-1-(2-methylpropyl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67634201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).