2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride

C108H107Cl3F4N12O11 — CID 158879971

IUPAC2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride
SMILESC.Cc1c(C2=CCCN(C(=O)c3ccc4ccccc4n3)C2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2=CCN(Cc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(N(C)C(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NC(=O)c3cccc4ncccc34)CC2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl
InChIInChI=1S/C28H28FN3O3.C27H26FN3O3.C26H22FN3O3.C26H24FN3O2.CH4.3ClH/c1-17-27(22-15-20(29)10-14-25(22)32(17)16-26(33)34)19-7-11-21(12-8-19)31(2)28(35)24-13-9-18-5-3-4-6-23(18)30-24;1-16-26(22-14-18(28)9-12-24(22)31(16)15-25(32)33)17-7-10-19(11-8-17)30-27(34)21-4-2-6-23-20(21)5-3-13-29-23;1-16-25(20-13-19(27)9-11-23(20)30(16)15-24(31)32)18-6-4-12-29(14-18)26(33)22-10-8-17-5-2-3-7-21(17)28-22;1-17-26(22-14-20(27)7-9-24(22)30(17)16-25(31)32)19-10-12-29(13-11-19)15-21-8-6-18-4-2-3-5-23(18)28-21;;;;/h3-6,9-10,13-15,19,21H,7-8,11-12,16H2,1-2H3,(H,33,34);2-6,9,12-14,17,19H,7-8,10-11,15H2,1H3,(H,30,34)(H,32,33);2-3,5-11,13H,4,12,14-15H2,1H3,(H,31,32);2-10,14H,11-13,15-16H2,1H3,(H,31,32);1H4;3*1H
InChIKeyDDZBRHGQHFMVEB-UHFFFAOYSA-N
MW1931.47 g/mol
LogP22.26
Rot. Bonds19

About 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride

2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride (PubChem CID 158879971) has the molecular formula C108H107Cl3F4N12O11 and a molecular weight of 1931.47 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride
PubChem CID158879971
Molecular FormulaC108H107Cl3F4N12O11
Molecular Weight1931.47 g/mol
Exact Mass1928.72
IUPAC Name2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride
SMILESC.Cc1c(C2=CCCN(C(=O)c3ccc4ccccc4n3)C2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2=CCN(Cc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(N(C)C(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NC(=O)c3cccc4ncccc34)CC2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl
InChIInChI=1S/C28H28FN3O3.C27H26FN3O3.C26H22FN3O3.C26H24FN3O2.CH4.3ClH/c1-17-27(22-15-20(29)10-14-25(22)32(17)16-26(33)34)19-7-11-21(12-8-19)31(2)28(35)24-13-9-18-5-3-4-6-23(18)30-24;1-16-26(22-14-18(28)9-12-24(22)31(16)15-25(32)33)17-7-10-19(11-8-17)30-27(34)21-4-2-6-23-20(21)5-3-13-29-23;1-16-25(20-13-19(27)9-11-23(20)30(16)15-24(31)32)18-6-4-12-29(14-18)26(33)22-10-8-17-5-2-3-7-21(17)28-22;1-17-26(22-14-20(27)7-9-24(22)30(17)16-25(31)32)19-10-12-29(13-11-19)15-21-8-6-18-4-2-3-5-23(18)28-21;;;;/h3-6,9-10,13-15,19,21H,7-8,11-12,16H2,1-2H3,(H,33,34);2-6,9,12-14,17,19H,7-8,10-11,15H2,1H3,(H,30,34)(H,32,33);2-3,5-11,13H,4,12,14-15H2,1H3,(H,31,32);2-10,14H,11-13,15-16H2,1H3,(H,31,32);1H4;3*1H
InChIKeyDDZBRHGQHFMVEB-UHFFFAOYSA-N
XLogP22.26
TPSA293.44 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.47
LogP ≤ 522.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride with MolForge

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Related Compounds

(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[[2-[[(1S)-2-[(3S)-2-[(2S)-2-[(2-acetamidoacetyl)amino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carbonyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 73354247
(2R)-N-[4-[bis[4-[[(2R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-pyridin-4-ylpropanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-pyridin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 20779516
(2R)-N-[4-[bis[4-[[(2R)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-4-ylpropanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 20779520
(2S)-N-[4-[bis[4-[[(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-2-ylpropanoyl]amino]phenyl]methyl]phenyl]-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-pyridin-2-ylpropanamide;2,2,2-trifluoroacetic acid
CID 87979945
2-[5-Fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid
CID 130422524
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[4-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoyl]amino]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-methylamino]propanoic acid
CID 157579526
2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 157726565
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157863488
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
CID 158252746
2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 158500869

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride?
The IUPAC name of 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride (CID 158879971) is 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride.
What is the SMILES notation for 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride?
The canonical SMILES for 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride is C.Cc1c(C2=CCCN(C(=O)c3ccc4ccccc4n3)C2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2=CCN(Cc3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(N(C)C(=O)c3ccc4ccccc4n3)CC2)c2cc(F)ccc2n1CC(=O)O.Cc1c(C2CCC(NC(=O)c3cccc4ncccc34)CC2)c2cc(F)ccc2n1CC(=O)O.Cl.Cl.Cl.
What is the InChIKey of 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride?
The InChIKey is DDZBRHGQHFMVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3.C27H26FN3O3.C26H22FN3O3.C26H24FN3O2.CH4.3ClH/c1-17-27(22-15-20(29)10-14-25(22)32(17)16-26(33)34)19-7-11-21(12-8-19)31(2)28(35)24-13-9-18-5-3-4-6-23(18)30-24;1-16-26(22-14-18(28)9-12-24(22)31(16)15-25(32)33)17-7-10-19(11-8-17)30-27(34)21-4-2-6-23-20(21)5-3-13-29-23;1-16-25(20-13-19(27)9-11-23(20)30(16)15-24(31)32)18-6-4-12-29(14-18)26(33)22-10-8-17-5-2-3-7-21(17)28-22;1-17-26(22-14-20(27)7-9-24(22)30(17)16-25(31)32)19-10-12-29(13-11-19)15-21-8-6-18-4-2-3-5-23(18)28-21;;;;/h3-6,9-10,13-15,19,21H,7-8,11-12,16H2,1-2H3,(H,33,34);2-6,9,12-14,17,19H,7-8,10-11,15H2,1H3,(H,30,34)(H,32,33);2-3,5-11,13H,4,12,14-15H2,1H3,(H,31,32);2-10,14H,11-13,15-16H2,1H3,(H,31,32);1H4;3*1H.
What are the key properties of 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride?
2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride has a molecular weight of 1931.47 g/mol, XLogP of 22.26, 19 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-3-[4-[methyl(quinoline-2-carbonyl)amino]cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[4-(quinoline-5-carbonylamino)cyclohexyl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]indol-1-yl]acetic acid;2-[5-fluoro-2-methyl-3-[1-(quinolin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]acetic acid;methane;trihydrochloride is sourced from PubChem (CID 158879971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).