1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

C20H31NO2 — CID 3784839

IUPAC1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CCC2(C)C1=CCC1C2CCC2(C)C1CCC2(C)O
InChIInChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3
InChIKeyPWVLZAWWMIOCEB-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.73
Rot. Bonds

About 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one (PubChem CID 3784839) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
PubChem CID3784839
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CCC2(C)C1=CCC1C2CCC2(C)C1CCC2(C)O
InChIInChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3
InChIKeyPWVLZAWWMIOCEB-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one with MolForge

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Related Compounds

3-Oxo-4-aza-5-androstene-17beta-carboxylic acid
CID 475447
(4R,9aR,11aR)-4,6,9a,11a-tetramethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44350093
(1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 245471
(4R,9aR,11aR)-4-ethyl-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44349958
1-(2-(dimethylamino)ethyl)-7-hydroxy-4a,6a,7-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
CID 240340
(4R,9aR,11aR)-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-4-propyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44349957
(9aR,11aR)-6,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44349965
(1R,3aS,3bR,9aR,9bS,11aS)-6,11a-dimethylspiro[3,3a,3b,4,8,9,9a,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,2'-oxolane]-7-one
CID 101647606
sodium 2-[(1R,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]propanoate
CID 118718142
7-Acetyl-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2h-indeno[5,4-f]quinolin-2-one
CID 236324
(1S)-1-hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 44292255
4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17beta-hydroxy-17-methyl-
CID 54599789

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one (CID 3784839) is 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one.
What is the SMILES notation for 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one is CN1C(=O)CCC2(C)C1=CCC1C2CCC2(C)C1CCC2(C)O.
What is the InChIKey of 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is PWVLZAWWMIOCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-18-10-9-17(22)21(4)16(18)6-5-13-14(18)7-11-19(2)15(13)8-12-20(19,3)23/h6,13-15,23H,5,7-12H2,1-4H3.
What are the key properties of 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one?
1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 317.47 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 3784839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).