(4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one

C24H36N2O2 — CID 10045592

IUPAC(4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
SMILESCCN(CC)CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12
InChIInChI=1S/C24H36N2O2/c1-4-26(5-2)14-15-28-18-7-9-19-17(16-18)6-8-21-20(19)12-13-24(3)22(21)10-11-23(27)25-24/h7,9,16,20-22H,4-6,8,10-15H2,1-3H3,(H,25,27)/t20-,21-,22+,24+/m1/s1
InChIKeyDGOUYNALPXWNRD-SVPADUAOSA-N
MW384.56 g/mol
LogP4.13
Rot. Bonds6

About (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one

(4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one (PubChem CID 10045592) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one.

Molecular Properties

Compound Name(4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
PubChem CID10045592
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
SMILESCCN(CC)CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12
InChIInChI=1S/C24H36N2O2/c1-4-26(5-2)14-15-28-18-7-9-19-17(16-18)6-8-21-20(19)12-13-24(3)22(21)10-11-23(27)25-24/h7,9,16,20-22H,4-6,8,10-15H2,1-3H3,(H,25,27)/t20-,21-,22+,24+/m1/s1
InChIKeyDGOUYNALPXWNRD-SVPADUAOSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one with MolForge

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Related Compounds

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(8S,9R,13S,14R)-3-[6-(dimethylamino)hexoxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 99934933
(8S,9R,13S,14S)-3-(2-aminoethoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 98010354
(12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl) (Z)-3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
CID 10007866
(8R,9S,13S,14S)-3-(4-chlorobutoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 166607307
(8R,9S,13S,14S)-3-(fluoromethoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 90272038
[(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
CID 10415645
4-[[(8S,9R,13R,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]butanenitrile
CID 11890520
(13S)-13-methyl-3-prop-2-enoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 19590392
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CID 124800609
(8R,9S,13S,14R,17S)-17-methoxy-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 124523928
(8R,9S,13S,14S,17S)-3,17-bis(ethoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
CID 171379467

Frequently Asked Questions

What is the IUPAC name of (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
The IUPAC name of (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one (CID 10045592) is (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one.
What is the SMILES notation for (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
The canonical SMILES for (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one is CCN(CC)CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12.
What is the InChIKey of (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
The InChIKey is DGOUYNALPXWNRD-SVPADUAOSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-26(5-2)14-15-28-18-7-9-19-17(16-18)6-8-21-20(19)12-13-24(3)22(21)10-11-23(27)25-24/h7,9,16,20-22H,4-6,8,10-15H2,1-3H3,(H,25,27)/t20-,21-,22+,24+/m1/s1.
What are the key properties of (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
(4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one has a molecular weight of 384.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bR,10bS,12aS)-8-[2-(diethylamino)ethoxy]-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one is sourced from PubChem (CID 10045592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).