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

C141H121Cl6F6N21O15 — CID 159614023

About 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

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 (PubChem CID 159614023) has the molecular formula C141H121Cl6F6N21O15 and a molecular weight of 2676.36 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159614023
• Molecular Formula: C141H121Cl6F6N21O15
• Molecular Weight: 2676.36 g/mol
• Exact Mass: 2671.74
• IUPAC Name: 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
• SMILES: 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)cc(C)n1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.C[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.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
• InChI: InChI=1S/C28H24Cl2N4O.C27H23N3O3.C22H18ClF3N4O3.C22H21ClN4O3.C21H16ClF3N2O2.C21H19ClN4O3/c1-17-11-21(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;1-26(13-31)11-19-29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(24(20)23(21)29)27(26,2)33-19;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;1-13-10-16(6-9-19(13)23)27-22(29)26-15-4-7-17(8-5-15)30-18-11-14(2)25-20(12-18)21(28)24-3;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/h4-16H,31H2,1-3H3;3-10,19,31H,11-13H2,1-2H3,(H,28,32);3-11H,1-2H3,(H,27,31)(H2,29,30,32);4-12H,1-3H3,(H,24,28)(H2,26,27,29);2-12H,1H3,(H2,26,27,28);3-12H,1-2H3,(H,23,27)(H2,25,26,28)/t28-;19-,26-,27+;;;;/m01..../s1
• InChIKey: MNBCUUZVBKTIHT-WIBWDWKMSA-N
• XLogP: 33.50
• TPSA: 461.67 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2676.36
LogP ≤ 5	33.50
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

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;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?

The IUPAC name of 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) is 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.

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;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?

The canonical SMILES for 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 is 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)cc(C)n1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.C[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4.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.

What is the InChIKey of 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?

The InChIKey is MNBCUUZVBKTIHT-WIBWDWKMSA-N. The full InChI is InChI=1S/C28H24Cl2N4O.C27H23N3O3.C22H18ClF3N4O3.C22H21ClN4O3.C21H16ClF3N2O2.C21H19ClN4O3/c1-17-11-21(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;1-26(13-31)11-19-29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(24(20)23(21)29)27(26,2)33-19;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;1-13-10-16(6-9-19(13)23)27-22(29)26-15-4-7-17(8-5-15)30-18-11-14(2)25-20(12-18)21(28)24-3;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/h4-16H,31H2,1-3H3;3-10,19,31H,11-13H2,1-2H3,(H,28,32);3-11H,1-2H3,(H,27,31)(H2,29,30,32);4-12H,1-3H3,(H,24,28)(H2,26,27,29);2-12H,1H3,(H2,26,27,28);3-12H,1-2H3,(H,23,27)(H2,25,26,28)/t28-;19-,26-,27+;;;;/m01..../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;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?

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 has a molecular weight of 2676.36 g/mol, XLogP of 33.50, 24 rotatable bonds, 14 hydrogen bond donors, and 24 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;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 is sourced from PubChem (CID 159614023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).