(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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

C22H35FN2O — CID 70145738

IUPAC(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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
SMILESCN1C(=O)CC(F)[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC3CC3)CC[C@@H]12
InChIInChI=1S/C22H35FN2O/c1-21-11-10-16-14(15(21)7-8-18(21)24-13-4-5-13)6-9-19-22(16,2)17(23)12-20(26)25(19)3/h13-19,24H,4-12H2,1-3H3/t14-,15-,16+,17?,18?,19?,21-,22-/m0/s1
InChIKeyCASLQMOWTCVLAB-ASUQMODRSA-N
MW362.53 g/mol
LogP3.92
Rot. Bonds2

About (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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

(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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 (PubChem CID 70145738) has the molecular formula C22H35FN2O and a molecular weight of 362.53 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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
PubChem CID70145738
Molecular FormulaC22H35FN2O
Molecular Weight362.53 g/mol
Exact Mass362.27
IUPAC Name(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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
SMILESCN1C(=O)CC(F)[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC3CC3)CC[C@@H]12
InChIInChI=1S/C22H35FN2O/c1-21-11-10-16-14(15(21)7-8-18(21)24-13-4-5-13)6-9-19-22(16,2)17(23)12-20(26)25(19)3/h13-19,24H,4-12H2,1-3H3/t14-,15-,16+,17?,18?,19?,21-,22-/m0/s1
InChIKeyCASLQMOWTCVLAB-ASUQMODRSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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 with MolForge

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Related Compounds

(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-6,9a,11a-trimethyl-9-phenylsulfanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 70146744
(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
CID 70146739
(3aS,3bS,9aR,9bR,11aS)-1-[(1-fluorocyclopropyl)amino]-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 70170236
1-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-3-tert-butylurea
CID 57221987
(9aR,11aR)-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 71056442
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]thiophene-2-carboxamide
CID 67721745
N-[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-2,3-difluorobenzamide
CID 57276679
N-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-tert-butylsulfanylacetamide
CID 22873585
methyl 5-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]amino]-2,2-dimethyl-5-oxopentanoate
CID 67723820
methyl (1R,3aR,3bR,5aS,9aS,9bR,11aR)-8-fluoro-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
CID 164662553
(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

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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?
The IUPAC name of (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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 70145738) is (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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.
What is the SMILES notation for (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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 is CN1C(=O)CC(F)[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC3CC3)CC[C@@H]12.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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?
The InChIKey is CASLQMOWTCVLAB-ASUQMODRSA-N. The full InChI is InChI=1S/C22H35FN2O/c1-21-11-10-16-14(15(21)7-8-18(21)24-13-4-5-13)6-9-19-22(16,2)17(23)12-20(26)25(19)3/h13-19,24H,4-12H2,1-3H3/t14-,15-,16+,17?,18?,19?,21-,22-/m0/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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?
(3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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 has a molecular weight of 362.53 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aS)-1-(cyclopropylamino)-9-fluoro-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 is sourced from PubChem (CID 70145738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).