tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C118H140ClF6N21O22S3 — CID 159214951

IUPACtert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESC=CC(=O)N1CCN(c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc3ccc(F)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc3ccc(F)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3ccc(F)cc23)CC1.CCOC(=O)c1cnc2ccc(F)cc2c1Cl.CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)CC1
InChIInChI=1S/C24H32FN5O5S.C22H26FN5O4S.C21H26FN3O4.C20H25FN4O3S.C19H22FN3O4.C12H9ClFNO2/c1-24(2,3)35-23(32)29-9-7-27(8-10-29)21-18-15-17(25)5-6-20(18)26-16-19(21)22(31)28-11-13-30(14-12-28)36(4,33)34;1-3-20(29)25-6-8-26(9-7-25)21-17-14-16(23)4-5-19(17)24-15-18(21)22(30)27-10-12-28(13-11-27)33(2,31)32;1-5-28-19(26)16-13-23-17-7-6-14(22)12-15(17)18(16)24-8-10-25(11-9-24)20(27)29-21(2,3)4;1-29(27,28)25-11-9-24(10-12-25)20(26)17-14-22-18-6-5-15(21)13-16(18)19(17)23-7-3-2-4-8-23;1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-13-10-12(20)4-5-15(13)21-11-14(16)17(24)25;1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h5-6,15-16H,7-14H2,1-4H3;3-5,14-15H,1,6-13H2,2H3;6-7,12-13H,5,8-11H2,1-4H3;5-6,13-14H,2-4,7-12H2,1H3;4-5,10-11H,6-9H2,1-3H3,(H,24,25);3-6H,2H2,1H3
InChIKeyKQYIQEGBAIXJOA-UHFFFAOYSA-N
MW2450.18 g/mol
LogP15.10
Rot. Bonds17

About tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 159214951) has the molecular formula C118H140ClF6N21O22S3 and a molecular weight of 2450.18 g/mol. Its IUPAC name is tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nametert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID159214951
Molecular FormulaC118H140ClF6N21O22S3
Molecular Weight2450.18 g/mol
Exact Mass2447.92
IUPAC Nametert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESC=CC(=O)N1CCN(c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc3ccc(F)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc3ccc(F)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3ccc(F)cc23)CC1.CCOC(=O)c1cnc2ccc(F)cc2c1Cl.CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)CC1
InChIInChI=1S/C24H32FN5O5S.C22H26FN5O4S.C21H26FN3O4.C20H25FN4O3S.C19H22FN3O4.C12H9ClFNO2/c1-24(2,3)35-23(32)29-9-7-27(8-10-29)21-18-15-17(25)5-6-20(18)26-16-19(21)22(31)28-11-13-30(14-12-28)36(4,33)34;1-3-20(29)25-6-8-26(9-7-25)21-17-14-16(23)4-5-19(17)24-15-18(21)22(30)27-10-12-28(13-11-27)33(2,31)32;1-5-28-19(26)16-13-23-17-7-6-14(22)12-15(17)18(16)24-8-10-25(11-9-24)20(27)29-21(2,3)4;1-29(27,28)25-11-9-24(10-12-25)20(26)17-14-22-18-6-5-15(21)13-16(18)19(17)23-7-3-2-4-8-23;1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-13-10-12(20)4-5-15(13)21-11-14(16)17(24)25;1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h5-6,15-16H,7-14H2,1-4H3;3-5,14-15H,1,6-13H2,2H3;6-7,12-13H,5,8-11H2,1-4H3;5-6,13-14H,2-4,7-12H2,1H3;4-5,10-11H,6-9H2,1-3H3,(H,24,25);3-6H,2H2,1H3
InChIKeyKQYIQEGBAIXJOA-UHFFFAOYSA-N
XLogP15.10
TPSA465.44 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.18
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone with MolForge

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Related Compounds

N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxamide;4-(4-hydroxypiperidin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 157559470
tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;2-chloropyrimidine;2-[4-[2-(diaminomethylideneamino)ethylamino]quinolin-3-yl]acetic acid;bis(ethyl 4-(2-aminoethylamino)quinoline-3-carboxylate);ethyl 4-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]quinoline-3-carboxylate;ethyl 4-chloroquinoline-3-carboxylate;ethyl 4-(propylamino)quinoline-3-carboxylate;propan-1-amine;2-[4-[2-(pyrimidin-2-ylamino)ethylamino]quinolin-3-yl]acetic acid
CID 158024560
1-[4-[4-Amino-2-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;ethyl 6-chloro-4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]quinoline-3-carboxylate;ethyl 4,6-dichloroquinoline-3-carboxylate
CID 158539838
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-morpholin-4-yl-2-(trifluoromethyl)quinoline-6-carboxamide;4-morpholin-4-yl-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 159738665
Ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylic acid;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159770956
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;4-(4,4-difluoropiperidin-1-yl)-N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-2-(trifluoromethyl)quinoline-6-carboxamide;4-(4,4-difluoropiperidin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 159793602
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)quinoline-6-carboxamide;4-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 160400163
4-Anilino-6-piperazin-1-ylquinoline-3-carboxamide;azane;tert-butyl 4-(4-anilino-3-carbamoylquinolin-6-yl)piperazine-1-carboxylate;tert-butyl piperidine-4-carboxylate;ethene;ethyl 4-anilino-6-chloroquinoline-3-carboxylate;ethyl 4-anilino-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]quinoline-3-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 160597113
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline-6-carboxamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 160739071
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-piperidin-1-yl-2-(trifluoromethyl)quinoline-6-carboxamide;4-piperidin-1-yl-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 160938318
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;1-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]ethanone;N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxamide;4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinoline-6-carboxylic acid
CID 161201243
acetylene;benzyl 4-aminobutanoate;benzyl 4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]butanoate;benzyl 4-[[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butylamino]quinoline-3-carbonyl]amino]butanoate;benzyl 4-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carbonyl]amino]butanoate;tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;but-2-yne;4-[[4-[4-(diaminomethylideneamino)butylamino]quinoline-3-carbonyl]amino]butanoic acid;hexa-1,3,5-triyne;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid;penta-1,3-diyne;prop-1-yne
CID 161481886

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 159214951) is tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is C=CC(=O)N1CCN(c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc3ccc(F)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cnc3ccc(F)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2c(C(=O)O)cnc3ccc(F)cc23)CC1.CCOC(=O)c1cnc2ccc(F)cc2c1Cl.CCOC(=O)c1cnc2ccc(F)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is KQYIQEGBAIXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O5S.C22H26FN5O4S.C21H26FN3O4.C20H25FN4O3S.C19H22FN3O4.C12H9ClFNO2/c1-24(2,3)35-23(32)29-9-7-27(8-10-29)21-18-15-17(25)5-6-20(18)26-16-19(21)22(31)28-11-13-30(14-12-28)36(4,33)34;1-3-20(29)25-6-8-26(9-7-25)21-17-14-16(23)4-5-19(17)24-15-18(21)22(30)27-10-12-28(13-11-27)33(2,31)32;1-5-28-19(26)16-13-23-17-7-6-14(22)12-15(17)18(16)24-8-10-25(11-9-24)20(27)29-21(2,3)4;1-29(27,28)25-11-9-24(10-12-25)20(26)17-14-22-18-6-5-15(21)13-16(18)19(17)23-7-3-2-4-8-23;1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-13-10-12(20)4-5-15(13)21-11-14(16)17(24)25;1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h5-6,15-16H,7-14H2,1-4H3;3-5,14-15H,1,6-13H2,2H3;6-7,12-13H,5,8-11H2,1-4H3;5-6,13-14H,2-4,7-12H2,1H3;4-5,10-11H,6-9H2,1-3H3,(H,24,25);3-6H,2H2,1H3.
What are the key properties of tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 2450.18 g/mol, XLogP of 15.10, 17 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazine-1-carboxylate;ethyl 4-chloro-6-fluoroquinoline-3-carboxylate;ethyl 6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(6-fluoro-4-piperidin-1-ylquinolin-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 159214951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).