6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid

C84H84F9N13O13 — CID 161092592

IUPAC6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid
SMILESCNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCCC(=O)Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c(F)c3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)c(F)c3)cc12.O=C(O)Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.[2H]CF
InChIInChI=1S/C42H40F4N6O6.C26H27F4N5O2.C15H14N2O5.CH3F/c1-47-37-29-18-28(32(42(44,45)46)19-34(29)49-20-30(37)39(56)50-24-10-11-24)23-9-12-27(33(43)17-23)38(55)48-15-4-2-3-7-25(53)16-22-6-5-8-26-31(22)21-52(41(26)58)35-13-14-36(54)51-40(35)57;1-32-23-18-11-17(14-4-7-16(21(27)10-14)24(36)33-9-3-2-8-31)20(26(28,29)30)12-22(18)34-13-19(23)25(37)35-15-5-6-15;18-12-5-4-11(14(21)16-12)17-7-10-8(6-13(19)20)2-1-3-9(10)15(17)22;1-2/h5-6,8-9,12,17-20,24,35H,2-4,7,10-11,13-16,21H2,1H3,(H,47,49)(H,48,55)(H,50,56)(H,51,54,57);4,7,10-13,15H,2-3,5-6,8-9,31H2,1H3,(H,32,34)(H,33,36)(H,35,37);1-3,11H,4-7H2,(H,19,20)(H,16,18,21);1H3/i;;;1D
InChIKeyUHJLEBSLSLAFRE-PBJKEDEQSA-N
MW1655.66 g/mol
LogP10.98
Rot. Bonds26

About 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid

6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid (PubChem CID 161092592) has the molecular formula C84H84F9N13O13 and a molecular weight of 1655.66 g/mol. Its IUPAC name is 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid.

Molecular Properties

Compound Name6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid
PubChem CID161092592
Molecular FormulaC84H84F9N13O13
Molecular Weight1655.66 g/mol
Exact Mass1654.62
IUPAC Name6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid
SMILESCNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCCC(=O)Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c(F)c3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)c(F)c3)cc12.O=C(O)Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.[2H]CF
InChIInChI=1S/C42H40F4N6O6.C26H27F4N5O2.C15H14N2O5.CH3F/c1-47-37-29-18-28(32(42(44,45)46)19-34(29)49-20-30(37)39(56)50-24-10-11-24)23-9-12-27(33(43)17-23)38(55)48-15-4-2-3-7-25(53)16-22-6-5-8-26-31(22)21-52(41(26)58)35-13-14-36(54)51-40(35)57;1-32-23-18-11-17(14-4-7-16(21(27)10-14)24(36)33-9-3-2-8-31)20(26(28,29)30)12-22(18)34-13-19(23)25(37)35-15-5-6-15;18-12-5-4-11(14(21)16-12)17-7-10-8(6-13(19)20)2-1-3-9(10)15(17)22;1-2/h5-6,8-9,12,17-20,24,35H,2-4,7,10-11,13-16,21H2,1H3,(H,47,49)(H,48,55)(H,50,56)(H,51,54,57);4,7,10-13,15H,2-3,5-6,8-9,31H2,1H3,(H,32,34)(H,33,36)(H,35,37);1-3,11H,4-7H2,(H,19,20)(H,16,18,21);1H3/i;;;1D
InChIKeyUHJLEBSLSLAFRE-PBJKEDEQSA-N
XLogP10.98
TPSA379.59 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.66
LogP ≤ 510.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid 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

(2S)-2-[[4-[[(2R)-4-[5-[(2S)-2-carboxy-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]ethyl]-8-[1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]quinolin-2-yl]-1,1,1-trifluorobutan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(6-fluoro-1,2-dimethyl-4-oxoquinolin-3-yl)quinolin-5-yl]propanoic acid
CID 146615040
N-cyclopropyl-6-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetyl]amino]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 147107138
N-cyclopropyl-6-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 149169946
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
CID 150707886
N-cyclopropyl-6-[4-[4-[3-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]propanoylamino]butylcarbamoyl]-3-fluorophenyl]-7-fluoro-4-(methylamino)quinoline-3-carboxamide
CID 150732986
N-cyclopropyl-6-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanoylamino]butylcarbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 150898793
N-cyclopropyl-6-[4-[4-[[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxypropanoyl]amino]butylcarbamoyl]-3-fluorophenyl]-7-fluoro-4-(methylamino)quinoline-3-carboxamide
CID 151239212
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
CID 152603770
4-anilino-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]-7-fluoroquinoline-3-carboxamide
CID 153542685
6-[4-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butylcarbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)-4-(methylamino)quinoline-3-carboxamide
CID 153542720
4-anilino-N-cyclopropyl-6-[4-[1-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentanoylamino]ethyl]-3-fluorophenyl]-7-fluoroquinoline-3-carboxamide
CID 153542738
N-cyclopropyl-6-[4-[4-[3-[6-(2,6-dioxopiperidin-3-yl)-7-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl]propanoylamino]butylcarbamoyl]-3-fluorophenyl]-7-fluoro-4-(methylamino)quinoline-3-carboxamide
CID 153542765

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid?
The IUPAC name of 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid (CID 161092592) is 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid.
What is the SMILES notation for 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid?
The canonical SMILES for 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid is CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCCC(=O)Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)c(F)c3)cc12.CNc1c(C(=O)NC2CC2)cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NCCCCN)c(F)c3)cc12.O=C(O)Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.[2H]CF.
What is the InChIKey of 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid?
The InChIKey is UHJLEBSLSLAFRE-PBJKEDEQSA-N. The full InChI is InChI=1S/C42H40F4N6O6.C26H27F4N5O2.C15H14N2O5.CH3F/c1-47-37-29-18-28(32(42(44,45)46)19-34(29)49-20-30(37)39(56)50-24-10-11-24)23-9-12-27(33(43)17-23)38(55)48-15-4-2-3-7-25(53)16-22-6-5-8-26-31(22)21-52(41(26)58)35-13-14-36(54)51-40(35)57;1-32-23-18-11-17(14-4-7-16(21(27)10-14)24(36)33-9-3-2-8-31)20(26(28,29)30)12-22(18)34-13-19(23)25(37)35-15-5-6-15;18-12-5-4-11(14(21)16-12)17-7-10-8(6-13(19)20)2-1-3-9(10)15(17)22;1-2/h5-6,8-9,12,17-20,24,35H,2-4,7,10-11,13-16,21H2,1H3,(H,47,49)(H,48,55)(H,50,56)(H,51,54,57);4,7,10-13,15H,2-3,5-6,8-9,31H2,1H3,(H,32,34)(H,33,36)(H,35,37);1-3,11H,4-7H2,(H,19,20)(H,16,18,21);1H3/i;;;1D.
What are the key properties of 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid?
6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid has a molecular weight of 1655.66 g/mol, XLogP of 10.98, 26 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;N-cyclopropyl-6-[4-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide;deuterio(fluoro)methane;2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetic acid is sourced from PubChem (CID 161092592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).