bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

C145H149Cl6F4IN24O13 — CID 158530148

About bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide

bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 158530148) has the molecular formula C145H149Cl6F4IN24O13 and a molecular weight of 2851.56 g/mol. Its IUPAC name is bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
• PubChem CID: 158530148
• Molecular Formula: C145H149Cl6F4IN24O13
• Molecular Weight: 2851.56 g/mol
• Exact Mass: 2846.88
• IUPAC Name: bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
• SMILES: COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCN(C)CC1.COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1C.Cc1cc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)cc1I.Cc1ccc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)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
• InChI: InChI=1S/C31H43N7O4.2C27H22Cl2N4O.C24H29N5O3.C18H16ClF2IN2O2.C18H17ClF2N2O2/c1-23(2)42-25-8-6-24(7-9-25)34-31(39)38-17-15-37(16-18-38)30-26-20-28(40-4)29(21-27(26)32-22-33-30)41-19-5-10-36-13-11-35(3)12-14-36;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;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-13-17(3)22(31-4)14-21(20)25-15-26-23;1-9-6-15(12(19)7-14(9)22)23-17-11(4-5-13(20)16(17)21)18(25)24-26-8-10-2-3-10;1-10-2-7-15(13(19)8-10)22-17-12(5-6-14(20)16(17)21)18(24)23-25-9-11-3-4-11/h6-9,20-23H,5,10-19H2,1-4H3,(H,34,39);2*3-16H,30H2,1-2H3;5-8,13-16H,9-12H2,1-4H3,(H,27,30);4-7,10,23H,2-3,8H2,1H3,(H,24,25);2,5-8,11,22H,3-4,9H2,1H3,(H,23,24)/t;2*27-;;;/m.11.../s1
• InChIKey: HNGNPCNFZODNOW-DTQMPQEWSA-N
• XLogP: 28.96
• TPSA: 407.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2851.56
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The IUPAC name of bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 158530148) is bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide.

What is the SMILES notation for bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The canonical SMILES for bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCN(C)CC1.COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)c2cc1C.Cc1cc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)cc1I.Cc1ccc(Nc2c(C(=O)NOCC3CC3)ccc(F)c2F)c(Cl)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 bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

The InChIKey is HNGNPCNFZODNOW-DTQMPQEWSA-N. The full InChI is InChI=1S/C31H43N7O4.2C27H22Cl2N4O.C24H29N5O3.C18H16ClF2IN2O2.C18H17ClF2N2O2/c1-23(2)42-25-8-6-24(7-9-25)34-31(39)38-17-15-37(16-18-38)30-26-20-28(40-4)29(21-27(26)32-22-33-30)41-19-5-10-36-13-11-35(3)12-14-36;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;1-16(2)32-19-7-5-18(6-8-19)27-24(30)29-11-9-28(10-12-29)23-20-13-17(3)22(31-4)14-21(20)25-15-26-23;1-9-6-15(12(19)7-14(9)22)23-17-11(4-5-13(20)16(17)21)18(25)24-26-8-10-2-3-10;1-10-2-7-15(13(19)8-10)22-17-12(5-6-14(20)16(17)21)18(24)23-25-9-11-3-4-11/h6-9,20-23H,5,10-19H2,1-4H3,(H,34,39);2*3-16H,30H2,1-2H3;5-8,13-16H,9-12H2,1-4H3,(H,27,30);4-7,10,23H,2-3,8H2,1H3,(H,24,25);2,5-8,11,22H,3-4,9H2,1H3,(H,23,24)/t;2*27-;;;/m.11.../s1.

What are the key properties of bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide?

bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 2851.56 g/mol, XLogP of 28.96, 35 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one);2-(2-chloro-4-iodo-5-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide;4-(7-methoxy-6-methylquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 158530148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).