6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane

C197H167Cl12F9N30O15 — CID 159719635

IUPAC6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane
SMILESCC.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.CN[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.Cc1cc(Cl)ccc1[C@@](N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/2C28H24Cl2N4O.2C27H22Cl2N4O.C22H18ClF3N4O3.C21H16ClF3N4O3.C21H16ClF3N2O2.C21H19ClN4O3.C2H6/c1-31-28(26-16-32-17-33(26)2,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(35)34(25)3)18-5-4-6-22(30)13-18;1-17-11-21(30)8-9-24(17)28(31,26-15-32-16-33(26)2)19-7-10-25-23(13-19)22(14-27(35)34(25)3)18-5-4-6-20(29)12-18;2*1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17;1-12-9-13(4-6-19(12)33-15-7-8-28-18(11-15)20(31)27-2)29-21(32)30-14-3-5-17(23)16(10-14)22(24,25)26;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-13-3-2-4-17(11-13)29-16-8-5-14(6-9-16)26-20(28)27-15-7-10-19(22)18(12-15)21(23,24)25;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-2/h4-17,31H,1-3H3;4-16H,31H2,1-3H3;2*3-16H,30H2,1-2H3;3-11H,1-2H3,(H,27,31)(H2,29,30,32);2-11H,1H3,(H,26,30)(H2,28,29,31);2-12H,1H3,(H2,26,27,28);3-12H,1-2H3,(H,23,27)(H2,25,26,28);1-2H3/t2*28-;2*27-;;;;;/m1011...../s1
InChIKeyMZWFWGRPJFKMTR-CALOEZPKSA-N
MW3791.12 g/mol
LogP46.93
Rot. Bonds36

About 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane

6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane (PubChem CID 159719635) has the molecular formula C197H167Cl12F9N30O15 and a molecular weight of 3791.12 g/mol. Its IUPAC name is 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane.

Molecular Properties

Compound Name6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane
PubChem CID159719635
Molecular FormulaC197H167Cl12F9N30O15
Molecular Weight3791.12 g/mol
Exact Mass3782.93
IUPAC Name6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane
SMILESCC.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.CN[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.Cc1cc(Cl)ccc1[C@@](N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/2C28H24Cl2N4O.2C27H22Cl2N4O.C22H18ClF3N4O3.C21H16ClF3N4O3.C21H16ClF3N2O2.C21H19ClN4O3.C2H6/c1-31-28(26-16-32-17-33(26)2,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(35)34(25)3)18-5-4-6-22(30)13-18;1-17-11-21(30)8-9-24(17)28(31,26-15-32-16-33(26)2)19-7-10-25-23(13-19)22(14-27(35)34(25)3)18-5-4-6-20(29)12-18;2*1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17;1-12-9-13(4-6-19(12)33-15-7-8-28-18(11-15)20(31)27-2)29-21(32)30-14-3-5-17(23)16(10-14)22(24,25)26;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-13-3-2-4-17(11-13)29-16-8-5-14(6-9-16)26-20(28)27-15-7-10-19(22)18(12-15)21(23,24)25;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-2/h4-17,31H,1-3H3;4-16H,31H2,1-3H3;2*3-16H,30H2,1-2H3;3-11H,1-2H3,(H,27,31)(H2,29,30,32);2-11H,1H3,(H,26,30)(H2,28,29,31);2-12H,1H3,(H2,26,27,28);3-12H,1-2H3,(H,23,27)(H2,25,26,28);1-2H3/t2*28-;2*27-;;;;;/m1011...../s1
InChIKeyMZWFWGRPJFKMTR-CALOEZPKSA-N
XLogP46.93
TPSA576.78 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds36
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003791.12
LogP ≤ 546.93
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane with MolForge

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Related Compounds

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane;(15S,16R,18R)-16-(hydroxymethyl)-15,16-dimethyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
CID 157526000
6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N,6-dimethylpyridine-2-carboxamide;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;(15S,16R,18R)-16-(hydroxymethyl)-15,16-dimethyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
CID 159614023
6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane
CID 160091321
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoroanilino]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 160819179
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide
CID 160502938
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-2-yl-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(1-phenylethyl)-6-propan-2-yloxybenzamide
CID 161474569
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxy-2-methylphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-naphthalen-1-yl-6-propan-2-yloxybenzamide;5-[1-(5-carbamimidoyl-1,4-dimethylimidazol-2-yl)ethyl]-3-chloro-2-fluoro-N-(2-fluoro-6-methylphenyl)-6-propan-2-yloxybenzamide
CID 163513794

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane?
The IUPAC name of 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane (CID 159719635) is 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane.
What is the SMILES notation for 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane?
The canonical SMILES for 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane is CC.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2C)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.CN[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.Cc1cc(Cl)ccc1[C@@](N)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.Cc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane?
The InChIKey is MZWFWGRPJFKMTR-CALOEZPKSA-N. The full InChI is InChI=1S/2C28H24Cl2N4O.2C27H22Cl2N4O.C22H18ClF3N4O3.C21H16ClF3N4O3.C21H16ClF3N2O2.C21H19ClN4O3.C2H6/c1-31-28(26-16-32-17-33(26)2,19-7-10-21(29)11-8-19)20-9-12-25-24(14-20)23(15-27(35)34(25)3)18-5-4-6-22(30)13-18;1-17-11-21(30)8-9-24(17)28(31,26-15-32-16-33(26)2)19-7-10-25-23(13-19)22(14-27(35)34(25)3)18-5-4-6-20(29)12-18;2*1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17;1-12-9-13(4-6-19(12)33-15-7-8-28-18(11-15)20(31)27-2)29-21(32)30-14-3-5-17(23)16(10-14)22(24,25)26;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-13-3-2-4-17(11-13)29-16-8-5-14(6-9-16)26-20(28)27-15-7-10-19(22)18(12-15)21(23,24)25;1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-2/h4-17,31H,1-3H3;4-16H,31H2,1-3H3;2*3-16H,30H2,1-2H3;3-11H,1-2H3,(H,27,31)(H2,29,30,32);2-11H,1H3,(H,26,30)(H2,28,29,31);2-12H,1H3,(H2,26,27,28);3-12H,1-2H3,(H,23,27)(H2,25,26,28);1-2H3/t2*28-;2*27-;;;;;/m1011...../s1.
What are the key properties of 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane?
6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane has a molecular weight of 3791.12 g/mol, XLogP of 46.93, 36 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino-(4-chloro-2-methylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-(methylamino)-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-methylphenoxy)phenyl]urea;ethane is sourced from PubChem (CID 159719635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).