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

C24H38N2O — CID 67671662

IUPAC(1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCCC1C[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](NC5CC5)[C@@]4(C)CC[C@@H]32)N(C)C1=O
InChIInChI=1S/C24H38N2O/c1-5-15-14-24(3)19-12-13-23(2)18(9-10-20(23)25-16-6-7-16)17(19)8-11-21(24)26(4)22(15)27/h11,15-20,25H,5-10,12-14H2,1-4H3/t15?,17-,18-,19-,20-,23-,24+/m0/s1
InChIKeyXIBKCKFIFFOJFQ-OFCAOOQKSA-N
MW370.58 g/mol
LogP4.73
Rot. Bonds3

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

(1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 67671662) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID67671662
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCCC1C[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](NC5CC5)[C@@]4(C)CC[C@@H]32)N(C)C1=O
InChIInChI=1S/C24H38N2O/c1-5-15-14-24(3)19-12-13-23(2)18(9-10-20(23)25-16-6-7-16)17(19)8-11-21(24)26(4)22(15)27/h11,15-20,25H,5-10,12-14H2,1-4H3/t15?,17-,18-,19-,20-,23-,24+/m0/s1
InChIKeyXIBKCKFIFFOJFQ-OFCAOOQKSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-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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(3aS,3bS,9aR,9bR,11aS)-8-bromo-1-(cyclopropylamino)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 70147164
(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-8-iodo-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
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(3aS,3bS,9aR,9bR,11aS)-N-tert-butyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67669154
[(8R,9R,10R,13S,14S)-17-(cyclopropylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
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(1S,9aS,11aS)-6,9a,11a-trimethyl-1-(2-methyloxiran-2-yl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 16627237
(3S,8R,9S,10R,13S,14S,17R)-17-(ethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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(3R,8R,9S,10R,13S,14S,17R)-17-(ethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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(3aS,3bR,9aR,9bS,11aS)-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,7-dione
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[(8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]urea
CID 154119324

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (CID 67671662) is (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-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 (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is CCC1C[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](NC5CC5)[C@@]4(C)CC[C@@H]32)N(C)C1=O.
What is the InChIKey of (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is XIBKCKFIFFOJFQ-OFCAOOQKSA-N. The full InChI is InChI=1S/C24H38N2O/c1-5-15-14-24(3)19-12-13-23(2)18(9-10-20(23)25-16-6-7-16)17(19)8-11-21(24)26(4)22(15)27/h11,15-20,25H,5-10,12-14H2,1-4H3/t15?,17-,18-,19-,20-,23-,24+/m0/s1.
What are the key properties of (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
(1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 370.58 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,9aR,9bS,11aS)-1-(cyclopropylamino)-8-ethyl-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67671662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).