(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one

C28H28ClF3N4O2S — CID 170428920

IUPAC(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](C(F)(F)F)N1Cc1cc2nccc(-c3cc(Cl)cc4c3N([C@@H]3CNC5(CCC5)C3)CCC4)c2s1
InChIInChI=1S/C28H28ClF3N4O2S/c29-17-9-16-3-1-8-35(18-12-27(34-13-18)5-2-6-27)24(16)21(10-17)20-4-7-33-22-11-19(39-25(20)22)14-36-23(28(30,31)32)15-38-26(36)37/h4,7,9-11,18,23,34H,1-3,5-6,8,12-15H2/t18-,23-/m0/s1
InChIKeyLRBMFAXZCBOZNN-MBSDFSHPSA-N
MW577.07 g/mol
LogP6.54
Rot. Bonds4

About (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one

(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 170428920) has the molecular formula C28H28ClF3N4O2S and a molecular weight of 577.07 g/mol. Its IUPAC name is (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID170428920
Molecular FormulaC28H28ClF3N4O2S
Molecular Weight577.07 g/mol
Exact Mass576.16
IUPAC Name(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](C(F)(F)F)N1Cc1cc2nccc(-c3cc(Cl)cc4c3N([C@@H]3CNC5(CCC5)C3)CCC4)c2s1
InChIInChI=1S/C28H28ClF3N4O2S/c29-17-9-16-3-1-8-35(18-12-27(34-13-18)5-2-6-27)24(16)21(10-17)20-4-7-33-22-11-19(39-25(20)22)14-36-23(28(30,31)32)15-38-26(36)37/h4,7,9-11,18,23,34H,1-3,5-6,8,12-15H2/t18-,23-/m0/s1
InChIKeyLRBMFAXZCBOZNN-MBSDFSHPSA-N
XLogP6.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.07
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one;formic acid
CID 175805444
3-[[7-[1-(5-azaspiro[3.4]octan-7-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(difluoromethyl)pyrimidine-2,4-dione
CID 170428954
5-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 170428915
1-[[7-[1-[(5R,8S)-1-azaspiro[4.4]nonan-8-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170429094
1-[[7-[6-chloro-1-(5,5-dimethylpyrrolidin-3-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170429102
3-[[7-[4-(5-azaspiro[3.4]octan-7-yl)-7-chloro-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 170428934
1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170428879
1-[[7-[1-(5-tert-butylsulfonyl-2-fluoro-5-azaspiro[3.4]octan-7-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170429056
2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one
CID 170429062
1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 175805706
3-[[7-[6-chloro-1-[(3S)-pyrrolidin-3-yl]-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 170428943
3-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 170429123

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 170428920) is (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1OC[C@@H](C(F)(F)F)N1Cc1cc2nccc(-c3cc(Cl)cc4c3N([C@@H]3CNC5(CCC5)C3)CCC4)c2s1.
What is the InChIKey of (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is LRBMFAXZCBOZNN-MBSDFSHPSA-N. The full InChI is InChI=1S/C28H28ClF3N4O2S/c29-17-9-16-3-1-8-35(18-12-27(34-13-18)5-2-6-27)24(16)21(10-17)20-4-7-33-22-11-19(39-25(20)22)14-36-23(28(30,31)32)15-38-26(36)37/h4,7,9-11,18,23,34H,1-3,5-6,8,12-15H2/t18-,23-/m0/s1.
What are the key properties of (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
(4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 577.07 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[7-[1-[(7S)-5-azaspiro[3.4]octan-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 170428920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).