4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate

C98H95Cl4F8N13O15 — CID 158534024

IUPAC4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.CCOC(=O)c1cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc2c1N1CCN(C(C)=O)CC1.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(C)=O)CC3)c(C(=O)O)cnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(C)=O)CC3)c(N)cnc2c1F
InChIInChI=1S/C28H30ClF2N3O5.C25H24ClF2N3O4.C23H20ClF2N3O4.C22H21ClF2N4O2/c1-6-38-26(35)17-15-32-24-16(25(17)33-10-12-34(13-11-33)27(36)39-28(2,3)4)14-18(29)21(23(24)31)22-19(30)8-7-9-20(22)37-5;1-4-35-25(33)16-13-29-23-15(24(16)31-10-8-30(9-11-31)14(2)32)12-17(26)20(22(23)28)21-18(27)6-5-7-19(21)34-3;1-12(30)28-6-8-29(9-7-28)22-13-10-15(24)18(19-16(25)4-3-5-17(19)33-2)20(26)21(13)27-11-14(22)23(31)32;1-12(30)28-6-8-29(9-7-28)22-13-10-14(23)18(20(25)21(13)27-11-16(22)26)19-15(24)4-3-5-17(19)31-2/h7-9,14-15H,6,10-13H2,1-5H3;5-7,12-13H,4,8-11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3,(H,31,32);3-5,10-11H,6-9,26H2,1-2H3
InChIKeyHNSLVDNMQFBMDM-UHFFFAOYSA-N
MW1988.71 g/mol
LogP19.06
Rot. Bonds17

About 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate

4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate (PubChem CID 158534024) has the molecular formula C98H95Cl4F8N13O15 and a molecular weight of 1988.71 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate
PubChem CID158534024
Molecular FormulaC98H95Cl4F8N13O15
Molecular Weight1988.71 g/mol
Exact Mass1985.57
IUPAC Name4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.CCOC(=O)c1cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc2c1N1CCN(C(C)=O)CC1.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(C)=O)CC3)c(C(=O)O)cnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(C)=O)CC3)c(N)cnc2c1F
InChIInChI=1S/C28H30ClF2N3O5.C25H24ClF2N3O4.C23H20ClF2N3O4.C22H21ClF2N4O2/c1-6-38-26(35)17-15-32-24-16(25(17)33-10-12-34(13-11-33)27(36)39-28(2,3)4)14-18(29)21(23(24)31)22-19(30)8-7-9-20(22)37-5;1-4-35-25(33)16-13-29-23-15(24(16)31-10-8-30(9-11-31)14(2)32)12-17(26)20(22(23)28)21-18(27)6-5-7-19(21)34-3;1-12(30)28-6-8-29(9-7-28)22-13-10-15(24)18(19-16(25)4-3-5-17(19)33-2)20(26)21(13)27-11-14(22)23(31)32;1-12(30)28-6-8-29(9-7-28)22-13-10-14(23)18(20(25)21(13)27-11-16(22)26)19-15(24)4-3-5-17(19)31-2/h7-9,14-15H,6,10-13H2,1-5H3;5-7,12-13H,4,8-11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3,(H,31,32);3-5,10-11H,6-9,26H2,1-2H3
InChIKeyHNSLVDNMQFBMDM-UHFFFAOYSA-N
XLogP19.06
TPSA307.83 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.71
LogP ≤ 519.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate 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

Tert-butyl 4-(3-carbamoyl-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl)piperazine-1-carboxylate
CID 118010274
2-Tert-butyl-4-[3-carbamoyl-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazine-1-carboxylic acid
CID 118010348
4-(4-Acryloylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxamide
CID 118010664
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid
CID 122601877
Tert-butyl 4-[3-carbamoyl-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 122601889
tert-butyl (2R,6S)-4-[3-carbamoyl-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 122601890
4-[3-Carbamoyl-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 122601994
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxamide
CID 122602094
ethyl 6-chloro-4-[(3R,5S)-3,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate
CID 122602156
4-(4-Acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid
CID 126482788
Ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 126482984
Ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate
CID 126483133

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate (CID 158534024) is 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc2c1N1CCN(C(=O)OC(C)(C)C)CC1.CCOC(=O)c1cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc2c1N1CCN(C(C)=O)CC1.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(C)=O)CC3)c(C(=O)O)cnc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(C)=O)CC3)c(N)cnc2c1F.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate?
The InChIKey is HNSLVDNMQFBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF2N3O5.C25H24ClF2N3O4.C23H20ClF2N3O4.C22H21ClF2N4O2/c1-6-38-26(35)17-15-32-24-16(25(17)33-10-12-34(13-11-33)27(36)39-28(2,3)4)14-18(29)21(23(24)31)22-19(30)8-7-9-20(22)37-5;1-4-35-25(33)16-13-29-23-15(24(16)31-10-8-30(9-11-31)14(2)32)12-17(26)20(22(23)28)21-18(27)6-5-7-19(21)34-3;1-12(30)28-6-8-29(9-7-28)22-13-10-15(24)18(19-16(25)4-3-5-17(19)33-2)20(26)21(13)27-11-14(22)23(31)32;1-12(30)28-6-8-29(9-7-28)22-13-10-14(23)18(20(25)21(13)27-11-16(22)26)19-15(24)4-3-5-17(19)31-2/h7-9,14-15H,6,10-13H2,1-5H3;5-7,12-13H,4,8-11H2,1-3H3;3-5,10-11H,6-9H2,1-2H3,(H,31,32);3-5,10-11H,6-9,26H2,1-2H3.
What are the key properties of 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate?
4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate has a molecular weight of 1988.71 g/mol, XLogP of 19.06, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylic acid;1-[4-[3-amino-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]ethanone;ethyl 4-(4-acetylpiperazin-1-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinoline-3-carboxylate;ethyl 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 158534024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).