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

C157H170F2N30O7 — CID 157152208

IUPAC4-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
SMILESCCCCn1cc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)cn1.CCCCn1cc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)cn1.CCCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)cn1.CCCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)cn1.CCCCn1cc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCn1cc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C28H31N5O2.C27H29N5O.C26H26FN5O.C26H29N5O.C25H28FN5O.C25H27N5O/c1-2-3-11-33-17-21(15-31-33)23-13-24-26(12-20(23)18-34)29-16-25(28(35)32-22-9-10-22)27(24)30-14-19-7-5-4-6-8-19;1-3-4-12-32-17-19(15-29-32)22-14-23-25(13-18(22)2)28-16-24(27(33)31-21-10-11-21)26(23)30-20-8-6-5-7-9-20;1-2-3-11-32-16-17(14-29-32)20-12-21-24(13-23(20)27)28-15-22(26(33)31-19-9-10-19)25(21)30-18-7-5-4-6-8-18;1-4-5-13-31-17-20(15-28-31)19-11-12-24-22(14-19)25(30-21-9-7-6-8-10-21)23(16-27-24)26(32)29-18(2)3;1-2-3-6-31-13-16(11-28-31)18-9-19-22(10-21(18)26)27-12-20(25(32)29-17-4-5-17)24(19)30-23-14-7-15(23)8-14;1-3-5-13-30-17-19(15-28-30)18-11-12-23-21(14-18)24(29-20-9-7-6-8-10-20)22(16-27-23)25(31)26-4-2/h4-8,12-13,15-17,22,34H,2-3,9-11,14,18H2,1H3,(H,29,30)(H,32,35);5-9,13-17,21H,3-4,10-12H2,1-2H3,(H,28,30)(H,31,33);4-8,12-16,19H,2-3,9-11H2,1H3,(H,28,30)(H,31,33);6-12,14-18H,4-5,13H2,1-3H3,(H,27,30)(H,29,32);9-15,17,23H,2-8H2,1H3,(H,27,30)(H,29,32);6-12,14-17H,3-5,13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyALJSKDKMIYGZDI-UHFFFAOYSA-N
MW2627.29 g/mol
LogP32.33
Rot. Bonds50

About 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

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 (PubChem CID 157152208) has the molecular formula C157H170F2N30O7 and a molecular weight of 2627.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157152208
Molecular FormulaC157H170F2N30O7
Molecular Weight2627.29 g/mol
Exact Mass2625.38
IUPAC Name4-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
SMILESCCCCn1cc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)cn1.CCCCn1cc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)cn1.CCCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)cn1.CCCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)cn1.CCCCn1cc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCn1cc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C28H31N5O2.C27H29N5O.C26H26FN5O.C26H29N5O.C25H28FN5O.C25H27N5O/c1-2-3-11-33-17-21(15-31-33)23-13-24-26(12-20(23)18-34)29-16-25(28(35)32-22-9-10-22)27(24)30-14-19-7-5-4-6-8-19;1-3-4-12-32-17-19(15-29-32)22-14-23-25(13-18(22)2)28-16-24(27(33)31-21-10-11-21)26(23)30-20-8-6-5-7-9-20;1-2-3-11-32-16-17(14-29-32)20-12-21-24(13-23(20)27)28-15-22(26(33)31-19-9-10-19)25(21)30-18-7-5-4-6-8-18;1-4-5-13-31-17-20(15-28-31)19-11-12-24-22(14-19)25(30-21-9-7-6-8-10-21)23(16-27-24)26(32)29-18(2)3;1-2-3-6-31-13-16(11-28-31)18-9-19-22(10-21(18)26)27-12-20(25(32)29-17-4-5-17)24(19)30-23-14-7-15(23)8-14;1-3-5-13-30-17-19(15-28-30)18-11-12-23-21(14-18)24(29-20-9-7-6-8-10-20)22(16-27-23)25(31)26-4-2/h4-8,12-13,15-17,22,34H,2-3,9-11,14,18H2,1H3,(H,29,30)(H,32,35);5-9,13-17,21H,3-4,10-12H2,1-2H3,(H,28,30)(H,31,33);4-8,12-16,19H,2-3,9-11H2,1H3,(H,28,30)(H,31,33);6-12,14-18H,4-5,13H2,1-3H3,(H,27,30)(H,29,32);9-15,17,23H,2-8H2,1H3,(H,27,30)(H,29,32);6-12,14-17H,3-5,13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyALJSKDKMIYGZDI-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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-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
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-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 158406379
CID 158550497
CID 158550497
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCn1cc(-c2cc3c(NC4C5CC4C5)c(C(=O)NC4CC4)cnc3cc2F)cn1.CCCCn1cc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)cn1.CCCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2C)cn1.CCCCn1cc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2F)cn1.CCCCn1cc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCn1cc(-c2ccc3ncc(C(=O)NCC)c(Nc4ccccc4)c3c2)cn1.
What is the InChIKey of 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?
The InChIKey is ALJSKDKMIYGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2.C27H29N5O.C26H26FN5O.C26H29N5O.C25H28FN5O.C25H27N5O/c1-2-3-11-33-17-21(15-31-33)23-13-24-26(12-20(23)18-34)29-16-25(28(35)32-22-9-10-22)27(24)30-14-19-7-5-4-6-8-19;1-3-4-12-32-17-19(15-29-32)22-14-23-25(13-18(22)2)28-16-24(27(33)31-21-10-11-21)26(23)30-20-8-6-5-7-9-20;1-2-3-11-32-16-17(14-29-32)20-12-21-24(13-23(20)27)28-15-22(26(33)31-19-9-10-19)25(21)30-18-7-5-4-6-8-18;1-4-5-13-31-17-20(15-28-31)19-11-12-24-22(14-19)25(30-21-9-7-6-8-10-21)23(16-27-24)26(32)29-18(2)3;1-2-3-6-31-13-16(11-28-31)18-9-19-22(10-21(18)26)27-12-20(25(32)29-17-4-5-17)24(19)30-23-14-7-15(23)8-14;1-3-5-13-30-17-19(15-28-30)18-11-12-23-21(14-18)24(29-20-9-7-6-8-10-20)22(16-27-23)25(31)26-4-2/h4-8,12-13,15-17,22,34H,2-3,9-11,14,18H2,1H3,(H,29,30)(H,32,35);5-9,13-17,21H,3-4,10-12H2,1-2H3,(H,28,30)(H,31,33);4-8,12-16,19H,2-3,9-11H2,1H3,(H,28,30)(H,31,33);6-12,14-18H,4-5,13H2,1-3H3,(H,27,30)(H,29,32);9-15,17,23H,2-8H2,1H3,(H,27,30)(H,29,32);6-12,14-17H,3-5,13H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 157152208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).