4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide

C157H170F2N30O7 — CID 157093225

IUPAC4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
SMILESCCCCn1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)n1
InChIInChI=1S/C28H31N5O2.C27H29N5O.C26H26FN5O.C26H29N5O.C25H28FN5O.C25H27N5O/c1-2-3-12-33-13-11-25(32-33)22-15-23-26(14-20(22)18-34)29-17-24(28(35)31-21-9-10-21)27(23)30-16-19-7-5-4-6-8-19;1-3-4-13-32-14-12-24(31-32)21-16-22-25(15-18(21)2)28-17-23(27(33)30-20-10-11-20)26(22)29-19-8-6-5-7-9-19;1-2-3-12-32-13-11-23(31-32)19-14-20-24(15-22(19)27)28-16-21(26(33)30-18-9-10-18)25(20)29-17-7-5-4-6-8-17;1-4-5-14-31-15-13-23(30-31)19-11-12-24-21(16-19)25(29-20-9-7-6-8-10-20)22(17-27-24)26(32)28-18(2)3;1-2-3-7-31-8-6-21(30-31)17-11-18-22(12-20(17)26)27-13-19(25(32)28-16-4-5-16)24(18)29-23-14-9-15(23)10-14;1-3-5-14-30-15-13-22(29-30)18-11-12-23-20(16-18)24(28-19-9-7-6-8-10-19)21(17-27-23)25(31)26-4-2/h4-8,11,13-15,17,21,34H,2-3,9-10,12,16,18H2,1H3,(H,29,30)(H,31,35);5-9,12,14-17,20H,3-4,10-11,13H2,1-2H3,(H,28,29)(H,30,33);4-8,11,13-16,18H,2-3,9-10,12H2,1H3,(H,28,29)(H,30,33);6-13,15-18H,4-5,14H2,1-3H3,(H,27,29)(H,28,32);6,8,11-16,23H,2-5,7,9-10H2,1H3,(H,27,29)(H,28,32);6-13,15-17H,3-5,14H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyAEXHHCBURHSDPR-UHFFFAOYSA-N
MW2627.29 g/mol
LogP32.33
Rot. Bonds50

About 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide

4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide (PubChem CID 157093225) has the molecular formula C157H170F2N30O7 and a molecular weight of 2627.29 g/mol. Its IUPAC name is 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
PubChem CID157093225
Molecular FormulaC157H170F2N30O7
Molecular Weight2627.29 g/mol
Exact Mass2625.38
IUPAC Name4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
SMILESCCCCn1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)n1
InChIInChI=1S/C28H31N5O2.C27H29N5O.C26H26FN5O.C26H29N5O.C25H28FN5O.C25H27N5O/c1-2-3-12-33-13-11-25(32-33)22-15-23-26(14-20(22)18-34)29-17-24(28(35)31-21-9-10-21)27(23)30-16-19-7-5-4-6-8-19;1-3-4-13-32-14-12-24(31-32)21-16-22-25(15-18(21)2)28-17-23(27(33)30-20-10-11-20)26(22)29-19-8-6-5-7-9-19;1-2-3-12-32-13-11-23(31-32)19-14-20-24(15-22(19)27)28-16-21(26(33)30-18-9-10-18)25(20)29-17-7-5-4-6-8-17;1-4-5-14-31-15-13-23(30-31)19-11-12-24-21(16-19)25(29-20-9-7-6-8-10-20)22(17-27-24)26(32)28-18(2)3;1-2-3-7-31-8-6-21(30-31)17-11-18-22(12-20(17)26)27-13-19(25(32)28-16-4-5-16)24(18)29-23-14-9-15(23)10-14;1-3-5-14-30-15-13-22(29-30)18-11-12-23-20(16-18)24(28-19-9-7-6-8-10-19)21(17-27-23)25(31)26-4-2/h4-8,11,13-15,17,21,34H,2-3,9-10,12,16,18H2,1H3,(H,29,30)(H,31,35);5-9,12,14-17,20H,3-4,10-11,13H2,1-2H3,(H,28,29)(H,30,33);4-8,11,13-16,18H,2-3,9-10,12H2,1H3,(H,28,29)(H,30,33);6-13,15-18H,4-5,14H2,1-3H3,(H,27,29)(H,28,32);6,8,11-16,23H,2-5,7,9-10H2,1H3,(H,27,29)(H,28,32);6-13,15-17H,3-5,14H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyAEXHHCBURHSDPR-UHFFFAOYSA-N
XLogP32.33
TPSA451.27 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds50
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002627.29
LogP ≤ 532.33
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[1-(4-aminobutyl)triazol-4-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane
CID 158720432
4-[[1-[1-(4-aminobutyl)triazol-4-yl]cyclopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclopropyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 159550713
4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
CID 157152208
7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157701373
4-anilino-6-(6-butyl-3-pyridinyl)-N-ethylquinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]-2-cyclopropylethanone;4-anilino-6-(6-butyl-3-pyridinyl)-N-propan-2-ylquinoline-3-carboxamide;1-[4-(benzylamino)-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 158012024
4-anilino-N-tert-butyl-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N,7-dimethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-fluoro-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-7-(hydroxymethyl)-N-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-methylquinoline-3-carboxamide;1-[4-anilino-6-(1-butylpyrazol-3-yl)quinolin-3-yl]ethanone
CID 158388142
4-anilino-N-cyclopropyl-7-fluoro-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-methyl-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-N-cyclopropyl-7-fluoro-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-fluoro-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-methyl-4-(methylamino)-6-(2-propylsulfinylethyl)quinoline-3-carboxamide;methane
CID 158629159
8-(hydroxymethyl)-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158660043
4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane
CID 158723011
10-(1-Azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one
CID 159643590
2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane
CID 159987699
4-amino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[3-(hydroxymethyl)anilino]quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
CID 160180585

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide?
The IUPAC name of 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide (CID 157093225) is 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide is CCCCn1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)n1.CCCCn1ccc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)n1.
What is the InChIKey of 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide?
The InChIKey is AEXHHCBURHSDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2.C27H29N5O.C26H26FN5O.C26H29N5O.C25H28FN5O.C25H27N5O/c1-2-3-12-33-13-11-25(32-33)22-15-23-26(14-20(22)18-34)29-17-24(28(35)31-21-9-10-21)27(23)30-16-19-7-5-4-6-8-19;1-3-4-13-32-14-12-24(31-32)21-16-22-25(15-18(21)2)28-17-23(27(33)30-20-10-11-20)26(22)29-19-8-6-5-7-9-19;1-2-3-12-32-13-11-23(31-32)19-14-20-24(15-22(19)27)28-16-21(26(33)30-18-9-10-18)25(20)29-17-7-5-4-6-8-17;1-4-5-14-31-15-13-23(30-31)19-11-12-24-21(16-19)25(29-20-9-7-6-8-10-20)22(17-27-24)26(32)28-18(2)3;1-2-3-7-31-8-6-21(30-31)17-11-18-22(12-20(17)26)27-13-19(25(32)28-16-4-5-16)24(18)29-23-14-9-15(23)10-14;1-3-5-14-30-15-13-22(29-30)18-11-12-23-20(16-18)24(28-19-9-7-6-8-10-19)21(17-27-23)25(31)26-4-2/h4-8,11,13-15,17,21,34H,2-3,9-10,12,16,18H2,1H3,(H,29,30)(H,31,35);5-9,12,14-17,20H,3-4,10-11,13H2,1-2H3,(H,28,29)(H,30,33);4-8,11,13-16,18H,2-3,9-10,12H2,1H3,(H,28,29)(H,30,33);6-13,15-18H,4-5,14H2,1-3H3,(H,27,29)(H,28,32);6,8,11-16,23H,2-5,7,9-10H2,1H3,(H,27,29)(H,28,32);6-13,15-17H,3-5,14H2,1-2H3,(H,26,31)(H,27,28).
What are the key properties of 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide?
4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide has a molecular weight of 2627.29 g/mol, XLogP of 32.33, 50 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 157093225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).