tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride

C64H69Cl3F5N7O9 — CID 159169322

IUPACtert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CN)C(F)(F)F)c1.CNC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)(O)CCC(=O)c2cc(OC)c3ncccc3c2)c1.COc1cc(C(=O)O)cc2cccnc12.Cl
InChIInChI=1S/C30H31ClFN3O3.C23H28ClF4N3O3.C11H9NO3.ClH/c1-29(2,33-4)21-16-24(18-8-9-23(32)22(31)14-18)35-27(17-21)30(3,37)11-10-25(36)20-13-19-7-6-12-34-28(19)26(15-20)38-5;1-20(2,3)34-19(32)31(6)21(4,5)14-10-17(13-7-8-16(25)15(24)9-13)30-18(11-14)22(33,12-29)23(26,27)28;1-15-9-6-8(11(13)14)5-7-3-2-4-12-10(7)9;/h6-9,12-17,33,37H,10-11H2,1-5H3;7-11,33H,12,29H2,1-6H3;2-6H,1H3,(H,13,14);1H
InChIKeyGJVLNHUDODSAOE-UHFFFAOYSA-N
MW1281.64 g/mol
LogP14.14
Rot. Bonds16

About tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride

tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride (PubChem CID 159169322) has the molecular formula C64H69Cl3F5N7O9 and a molecular weight of 1281.64 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride
PubChem CID159169322
Molecular FormulaC64H69Cl3F5N7O9
Molecular Weight1281.64 g/mol
Exact Mass1279.41
IUPAC Nametert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CN)C(F)(F)F)c1.CNC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)(O)CCC(=O)c2cc(OC)c3ncccc3c2)c1.COc1cc(C(=O)O)cc2cccnc12.Cl
InChIInChI=1S/C30H31ClFN3O3.C23H28ClF4N3O3.C11H9NO3.ClH/c1-29(2,33-4)21-16-24(18-8-9-23(32)22(31)14-18)35-27(17-21)30(3,37)11-10-25(36)20-13-19-7-6-12-34-28(19)26(15-20)38-5;1-20(2,3)34-19(32)31(6)21(4,5)14-10-17(13-7-8-16(25)15(24)9-13)30-18(11-14)22(33,12-29)23(26,27)28;1-15-9-6-8(11(13)14)5-7-3-2-4-12-10(7)9;/h6-9,12-17,33,37H,10-11H2,1-5H3;7-11,33H,12,29H2,1-6H3;2-6H,1H3,(H,13,14);1H
InChIKeyGJVLNHUDODSAOE-UHFFFAOYSA-N
XLogP14.14
TPSA232.44 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.64
LogP ≤ 514.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride 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

US11420976, Example 30
CID 156809842
N-[(2S)-2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156896242
N-[(2S)-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 168823548
US11420976, Example 56
CID 165436715
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxypyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]quinoline-6-carboxamide
CID 117924298
N-[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-hydroxyquinoline-6-carboxamide
CID 117936611
N-[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 117936663
N-[2-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 117936717
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 117936721
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2,3-dihydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 117936911
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxypyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 117936992
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-4-methyl-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 123141151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride (CID 159169322) is tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride is CN(C(=O)OC(C)(C)C)C(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(O)(CN)C(F)(F)F)c1.CNC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nc(C(C)(O)CCC(=O)c2cc(OC)c3ncccc3c2)c1.COc1cc(C(=O)O)cc2cccnc12.Cl.
What is the InChIKey of tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is GJVLNHUDODSAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClFN3O3.C23H28ClF4N3O3.C11H9NO3.ClH/c1-29(2,33-4)21-16-24(18-8-9-23(32)22(31)14-18)35-27(17-21)30(3,37)11-10-25(36)20-13-19-7-6-12-34-28(19)26(15-20)38-5;1-20(2,3)34-19(32)31(6)21(4,5)14-10-17(13-7-8-16(25)15(24)9-13)30-18(11-14)22(33,12-29)23(26,27)28;1-15-9-6-8(11(13)14)5-7-3-2-4-12-10(7)9;/h6-9,12-17,33,37H,10-11H2,1-5H3;7-11,33H,12,29H2,1-6H3;2-6H,1H3,(H,13,14);1H.
What are the key properties of tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride?
tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 1281.64 g/mol, XLogP of 14.14, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 159169322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).