4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide

C142H165FN30O11 — CID 160959862

IUPAC4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
SMILESCCCCn1ccc(-c2cc3c(N)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2cc3c(NCc4ccc(CO)cc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1
InChIInChI=1S/C29H33N5O3.C27H29N5O2.C22H27N5O2.C22H27N5O.C21H24FN5O.C21H25N5O2/c1-2-3-11-34-12-10-26(33-34)23-14-24-27(13-21(23)18-36)30-16-25(29(37)32-22-8-9-22)28(24)31-15-19-4-6-20(17-35)7-5-19;1-2-3-12-32-13-11-24(31-32)21-15-22-25(14-18(21)17-33)28-16-23(27(34)30-20-9-10-20)26(22)29-19-7-5-4-6-8-19;1-3-4-8-27-9-7-19(26-27)16-11-17-20(10-14(16)13-28)24-12-18(21(17)23-2)22(29)25-15-5-6-15;1-4-5-9-27-10-8-19(26-27)16-12-17-20(11-14(16)2)24-13-18(21(17)23-3)22(28)25-15-6-7-15;1-3-4-8-27-9-7-18(26-27)14-10-15-19(11-17(14)22)24-12-16(20(15)23-2)21(28)25-13-5-6-13;1-2-3-7-26-8-6-18(25-26)15-10-16-19(9-13(15)12-27)23-11-17(20(16)22)21(28)24-14-4-5-14/h4-7,10,12-14,16,22,35-36H,2-3,8-9,11,15,17-18H2,1H3,(H,30,31)(H,32,37);4-8,11,13-16,20,33H,2-3,9-10,12,17H2,1H3,(H,28,29)(H,30,34);7,9-12,15,28H,3-6,8,13H2,1-2H3,(H,23,24)(H,25,29);8,10-13,15H,4-7,9H2,1-3H3,(H,23,24)(H,25,28);7,9-13H,3-6,8H2,1-2H3,(H,23,24)(H,25,28);6,8-11,14,27H,2-5,7,12H2,1H3,(H2,22,23)(H,24,28)
InChIKeySWWJDMCLPCGTTL-UHFFFAOYSA-N
MW2487.08 g/mol
LogP23.72
Rot. Bonds49

About 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide

4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide (PubChem CID 160959862) has the molecular formula C142H165FN30O11 and a molecular weight of 2487.08 g/mol. Its IUPAC name is 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
PubChem CID160959862
Molecular FormulaC142H165FN30O11
Molecular Weight2487.08 g/mol
Exact Mass2485.33
IUPAC Name4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide
SMILESCCCCn1ccc(-c2cc3c(N)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2cc3c(NCc4ccc(CO)cc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1
InChIInChI=1S/C29H33N5O3.C27H29N5O2.C22H27N5O2.C22H27N5O.C21H24FN5O.C21H25N5O2/c1-2-3-11-34-12-10-26(33-34)23-14-24-27(13-21(23)18-36)30-16-25(29(37)32-22-8-9-22)28(24)31-15-19-4-6-20(17-35)7-5-19;1-2-3-12-32-13-11-24(31-32)21-15-22-25(14-18(21)17-33)28-16-23(27(34)30-20-9-10-20)26(22)29-19-7-5-4-6-8-19;1-3-4-8-27-9-7-19(26-27)16-11-17-20(10-14(16)13-28)24-12-18(21(17)23-2)22(29)25-15-5-6-15;1-4-5-9-27-10-8-19(26-27)16-12-17-20(11-14(16)2)24-13-18(21(17)23-3)22(28)25-15-6-7-15;1-3-4-8-27-9-7-18(26-27)14-10-15-19(11-17(14)22)24-12-16(20(15)23-2)21(28)25-13-5-6-13;1-2-3-7-26-8-6-18(25-26)15-10-16-19(9-13(15)12-27)23-11-17(20(16)22)21(28)24-14-4-5-14/h4-7,10,12-14,16,22,35-36H,2-3,8-9,11,15,17-18H2,1H3,(H,30,31)(H,32,37);4-8,11,13-16,20,33H,2-3,9-10,12,17H2,1H3,(H,28,29)(H,30,34);7,9-12,15,28H,3-6,8,13H2,1-2H3,(H,23,24)(H,25,29);8,10-13,15H,4-7,9H2,1-3H3,(H,23,24)(H,25,28);7,9-13H,3-6,8H2,1-2H3,(H,23,24)(H,25,28);6,8-11,14,27H,2-5,7,12H2,1H3,(H2,22,23)(H,24,28)
InChIKeySWWJDMCLPCGTTL-UHFFFAOYSA-N
XLogP23.72
TPSA546.18 Ų
H-Bond Donors17
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002487.08
LogP ≤ 523.72
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1035

Analyze 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-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-(4-aminobutyl)triazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-anilino-6-[6-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-N-methyl-7-(trifluoromethyl)quinoline-3-carboxamide;5-[4-anilino-3-(methylcarbamoyl)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid;deuterio(fluoro)methane
CID 157747263
3-[2-(8-aminooctyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[8-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 157975644
4-[1-[1-(4-aminobutyl)triazol-4-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid;N-cyclopropyl-6-[6-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]butylcarbamoyl]-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane
CID 158021297
3-[2-(7-aminoheptyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[7-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]heptylcarbamoyl]-3-(trifluoromethyl)phenyl]-7-fluoro-4-(methylamino)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 158514943
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
3-[4-(8-aminooctyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]piperidine-2,6-dione;4-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid;N-cyclopropyl-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 160241144
4-[[1-(3-aminopropyl)piperidin-4-yl]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-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]propylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;methane
CID 161898143
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
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 157140414
3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-(3-cyclopropyl-1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-cyclopropylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[(4-pyridin-4-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157150185
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide?
The IUPAC name of 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide (CID 160959862) is 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide?
The canonical SMILES for 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide is CCCCn1ccc(-c2cc3c(N)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2F)n1.CCCCn1ccc(-c2cc3c(NCc4ccc(CO)cc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.CCCCn1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)n1.
What is the InChIKey of 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide?
The InChIKey is SWWJDMCLPCGTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.C27H29N5O2.C22H27N5O2.C22H27N5O.C21H24FN5O.C21H25N5O2/c1-2-3-11-34-12-10-26(33-34)23-14-24-27(13-21(23)18-36)30-16-25(29(37)32-22-8-9-22)28(24)31-15-19-4-6-20(17-35)7-5-19;1-2-3-12-32-13-11-24(31-32)21-15-22-25(14-18(21)17-33)28-16-23(27(34)30-20-9-10-20)26(22)29-19-7-5-4-6-8-19;1-3-4-8-27-9-7-19(26-27)16-11-17-20(10-14(16)13-28)24-12-18(21(17)23-2)22(29)25-15-5-6-15;1-4-5-9-27-10-8-19(26-27)16-12-17-20(11-14(16)2)24-13-18(21(17)23-3)22(28)25-15-6-7-15;1-3-4-8-27-9-7-18(26-27)14-10-15-19(11-17(14)22)24-12-16(20(15)23-2)21(28)25-13-5-6-13;1-2-3-7-26-8-6-18(25-26)15-10-16-19(9-13(15)12-27)23-11-17(20(16)22)21(28)24-14-4-5-14/h4-7,10,12-14,16,22,35-36H,2-3,8-9,11,15,17-18H2,1H3,(H,30,31)(H,32,37);4-8,11,13-16,20,33H,2-3,9-10,12,17H2,1H3,(H,28,29)(H,30,34);7,9-12,15,28H,3-6,8,13H2,1-2H3,(H,23,24)(H,25,29);8,10-13,15H,4-7,9H2,1-3H3,(H,23,24)(H,25,28);7,9-13H,3-6,8H2,1-2H3,(H,23,24)(H,25,28);6,8-11,14,27H,2-5,7,12H2,1H3,(H2,22,23)(H,24,28).
What are the key properties of 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide?
4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide has a molecular weight of 2487.08 g/mol, XLogP of 23.72, 49 rotatable bonds, 17 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-fluoro-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methylamino]quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-(hydroxymethyl)-4-(methylamino)quinoline-3-carboxamide;6-(1-butylpyrazol-3-yl)-N-cyclopropyl-7-methyl-4-(methylamino)quinoline-3-carboxamide is sourced from PubChem (CID 160959862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).