10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

C23H35NO4 — CID 145003619

IUPAC10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCC1(O)CC2(C)C(CCC2C2(C)OCCO2)C2CC=C3NC(=O)CCC3(C)C21
InChIInChI=1S/C23H35NO4/c1-20-10-9-18(25)24-17(20)8-5-14-15-6-7-16(23(4)27-11-12-28-23)21(15,2)13-22(3,26)19(14)20/h8,14-16,19,26H,5-7,9-13H2,1-4H3,(H,24,25)
InChIKeyDQQPGXZPQXVZPZ-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.37
Rot. Bonds1

About 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 145003619) has the molecular formula C23H35NO4 and a molecular weight of 389.54 g/mol. Its IUPAC name is 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID145003619
Molecular FormulaC23H35NO4
Molecular Weight389.54 g/mol
Exact Mass389.26
IUPAC Name10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCC1(O)CC2(C)C(CCC2C2(C)OCCO2)C2CC=C3NC(=O)CCC3(C)C21
InChIInChI=1S/C23H35NO4/c1-20-10-9-18(25)24-17(20)8-5-14-15-6-7-16(23(4)27-11-12-28-23)21(15,2)13-22(3,26)19(14)20/h8,14-16,19,26H,5-7,9-13H2,1-4H3,(H,24,25)
InChIKeyDQQPGXZPQXVZPZ-UHFFFAOYSA-N
XLogP3.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one with MolForge

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Launch Full Analysis

Related Compounds

(9aR,10S,11aS)-6-ethyl-10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,3b,4,8,9,9b,11-decahydroindeno[5,4-f]quinolin-7-one
CID 169018267
(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 54440580
(3aR,3bR,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
CID 134128039
(10R,11S,13S,17S)-10,11,13-trimethyl-17-(2-methyl-1,3-dioxol-2-yl)-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11-diol
CID 156696789
[(1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] hydrogen carbonate
CID 69035325
(10R,13S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
CID 118597491
(1S,3aS,3bR,9aR,9bS,11aS)-1-cyclopropyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 15541676
(3aS,3bR,9aR,9bR,11aS)-1-dimethylsilyloxy-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 123257492
(3S,8S,10R,13S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 155445641
(10R,13S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 59976941
(1S,2R,3aS,3bS,9aR,9bS,11aS)-1-(1-hydroxyethyl)-2,9a,11a-trimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 22879803
(1S,3aS,3bS,9aR,9bS,11aS)-N,N-dibenzyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
CID 67750691

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (CID 145003619) is 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is CC1(O)CC2(C)C(CCC2C2(C)OCCO2)C2CC=C3NC(=O)CCC3(C)C21.
What is the InChIKey of 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is DQQPGXZPQXVZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO4/c1-20-10-9-18(25)24-17(20)8-5-14-15-6-7-16(23(4)27-11-12-28-23)21(15,2)13-22(3,26)19(14)20/h8,14-16,19,26H,5-7,9-13H2,1-4H3,(H,24,25).
What are the key properties of 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 389.54 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9a,10,11a-trimethyl-1-(2-methyl-1,3-dioxolan-2-yl)-2,3,3a,3b,4,6,8,9,9b,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 145003619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).