4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione

C138H140Cl4N8O12 — CID 158216851

IUPAC4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
SMILESCCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n(C(C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n([C@@H](C)c2ccc(C(=O)CCCC(C)=O)cc2)n1
InChIInChI=1S/2C37H38N2O4.2C32H32Cl2N2O2/c2*1-6-43-37-19-10-24(2)20-33(37)34-23-35(31-16-15-30-22-32(42-5)18-17-29(30)21-31)39(38-34)26(4)27-11-13-28(14-12-27)36(41)9-7-8-25(3)40;2*1-4-5-27(22-6-8-24(9-7-22)32(38)36-16-14-21(3)37)30(23-10-12-25(33)13-11-23)28-15-17-35-31-20(2)18-26(34)19-29(28)31/h2*10-23,26H,6-9H2,1-5H3;2*6-13,15,17-19,27,30H,4-5,14,16H2,1-3H3,(H,36,38)/t26-;;27-,30+;/m0.1./s1
InChIKeyGCTJQNIFNPBXFI-DUJGCRJNSA-N
MW2244.49 g/mol
LogP33.82
Rot. Bonds44

About 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione

4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione (PubChem CID 158216851) has the molecular formula C138H140Cl4N8O12 and a molecular weight of 2244.49 g/mol. Its IUPAC name is 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione.

Molecular Properties

Compound Name4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
PubChem CID158216851
Molecular FormulaC138H140Cl4N8O12
Molecular Weight2244.49 g/mol
Exact Mass2240.93
IUPAC Name4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
SMILESCCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n(C(C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n([C@@H](C)c2ccc(C(=O)CCCC(C)=O)cc2)n1
InChIInChI=1S/2C37H38N2O4.2C32H32Cl2N2O2/c2*1-6-43-37-19-10-24(2)20-33(37)34-23-35(31-16-15-30-22-32(42-5)18-17-29(30)21-31)39(38-34)26(4)27-11-13-28(14-12-27)36(41)9-7-8-25(3)40;2*1-4-5-27(22-6-8-24(9-7-22)32(38)36-16-14-21(3)37)30(23-10-12-25(33)13-11-23)28-15-17-35-31-20(2)18-26(34)19-29(28)31/h2*10-23,26H,6-9H2,1-5H3;2*6-13,15,17-19,27,30H,4-5,14,16H2,1-3H3,(H,36,38)/t26-;;27-,30+;/m0.1./s1
InChIKeyGCTJQNIFNPBXFI-DUJGCRJNSA-N
XLogP33.82
TPSA258.96 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.49
LogP ≤ 533.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione with MolForge

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Related Compounds

5-[2-[3-[2-(6-Chloro-3-methylnaphthalen-2-yl)oxyacetyl]-6-pyridazin-3-yloxyindol-1-yl]ethyl]-1-methylpyrrolidin-2-one
CID 121475287
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 158359107
4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
CID 158930842
4-[(1R,2S)-1-(4-chlorophenyl)-1-(5,7-dichloro-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(5,7-dichloro-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione
CID 159340893
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-ethylpiperidin-3-yl)-(6-methoxynaphthalen-2-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 161018835

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?
The IUPAC name of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione (CID 158216851) is 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione.
What is the SMILES notation for 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?
The canonical SMILES for 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione is CCCC(c1ccc(C(=O)NCCC(C)=O)cc1)C(c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCC[C@H](c1ccc(C(=O)NCCC(C)=O)cc1)[C@H](c1ccc(Cl)cc1)c1ccnc2c(C)cc(Cl)cc12.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n(C(C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.CCOc1ccc(C)cc1-c1cc(-c2ccc3cc(OC)ccc3c2)n([C@@H](C)c2ccc(C(=O)CCCC(C)=O)cc2)n1.
What is the InChIKey of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?
The InChIKey is GCTJQNIFNPBXFI-DUJGCRJNSA-N. The full InChI is InChI=1S/2C37H38N2O4.2C32H32Cl2N2O2/c2*1-6-43-37-19-10-24(2)20-33(37)34-23-35(31-16-15-30-22-32(42-5)18-17-29(30)21-31)39(38-34)26(4)27-11-13-28(14-12-27)36(41)9-7-8-25(3)40;2*1-4-5-27(22-6-8-24(9-7-22)32(38)36-16-14-21(3)37)30(23-10-12-25(33)13-11-23)28-15-17-35-31-20(2)18-26(34)19-29(28)31/h2*10-23,26H,6-9H2,1-5H3;2*6-13,15,17-19,27,30H,4-5,14,16H2,1-3H3,(H,36,38)/t26-;;27-,30+;/m0.1./s1.
What are the key properties of 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione?
4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione has a molecular weight of 2244.49 g/mol, XLogP of 33.82, 44 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;4-[1-(6-chloro-8-methylquinolin-4-yl)-1-(4-chlorophenyl)pentan-2-yl]-N-(3-oxobutyl)benzamide;1-[4-[(1S)-1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione;1-[4-[1-[3-(2-ethoxy-5-methylphenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]hexane-1,5-dione is sourced from PubChem (CID 158216851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).