(2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide

C127H112F6N20O5 — CID 159614938

IUPAC(2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2N(C)CCCN(C)C)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1ccc2nccnc2c1.[C-]#[N+]c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2ccc3ccncc3c2)c1.[C-]#[N+]c1ccc(Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1[N+]#[C-]
InChIInChI=1S/C30H31F3N4O.C25H16F3N3O.C24H23N5O.C24H21N5O.C24H21N3O/c1-20-6-10-25(18-26(20)22-8-7-21-12-13-34-19-23(21)16-22)35-29(38)27-17-24(30(31,32)33)9-11-28(27)37(4)15-5-14-36(2)3;1-15-3-7-20(13-21(15)17-5-4-16-9-10-30-14-18(16)11-17)31-24(32)22-12-19(25(26,27)28)6-8-23(22)29-2;1-16-7-8-19(28-24(30)17-5-4-6-20(13-17)29(2)3)14-22(16)27-18-9-10-21-23(15-18)26-12-11-25-21;1-16-9-10-19(28-24(30)17-7-6-8-20(13-17)29(4)5)14-22(16)27-18-11-12-21(25-2)23(15-18)26-3;1-16-7-10-21(27-24(28)23(25)18-5-3-2-4-6-18)14-22(16)19-9-8-17-11-12-26-15-20(17)13-19/h6-13,16-19H,5,14-15H2,1-4H3,(H,35,38);3-14H,1H3,(H,31,32);4-15,27H,1-3H3,(H,28,30);6-15,27H,1,4-5H3,(H,28,30);2-15,23H,25H2,1H3,(H,27,28)/t;;;;23-/m....1/s1
InChIKeyMNDZQOJNZHSABA-YIMZAWGFSA-N
MW2112.42 g/mol
LogP29.91
Rot. Bonds25

About (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide

(2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 159614938) has the molecular formula C127H112F6N20O5 and a molecular weight of 2112.42 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID159614938
Molecular FormulaC127H112F6N20O5
Molecular Weight2112.42 g/mol
Exact Mass2110.90
IUPAC Name(2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2N(C)CCCN(C)C)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1ccc2nccnc2c1.[C-]#[N+]c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2ccc3ccncc3c2)c1.[C-]#[N+]c1ccc(Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1[N+]#[C-]
InChIInChI=1S/C30H31F3N4O.C25H16F3N3O.C24H23N5O.C24H21N5O.C24H21N3O/c1-20-6-10-25(18-26(20)22-8-7-21-12-13-34-19-23(21)16-22)35-29(38)27-17-24(30(31,32)33)9-11-28(27)37(4)15-5-14-36(2)3;1-15-3-7-20(13-21(15)17-5-4-16-9-10-30-14-18(16)11-17)31-24(32)22-12-19(25(26,27)28)6-8-23(22)29-2;1-16-7-8-19(28-24(30)17-5-4-6-20(13-17)29(2)3)14-22(16)27-18-9-10-21-23(15-18)26-12-11-25-21;1-16-9-10-19(28-24(30)17-7-6-8-20(13-17)29(4)5)14-22(16)27-18-11-12-21(25-2)23(15-18)26-3;1-16-7-10-21(27-24(28)23(25)18-5-3-2-4-6-18)14-22(16)19-9-8-17-11-12-26-15-20(17)13-19/h6-13,16-19H,5,14-15H2,1-4H3,(H,35,38);3-14H,1H3,(H,31,32);4-15,27H,1-3H3,(H,28,30);6-15,27H,1,4-5H3,(H,28,30);2-15,23H,25H2,1H3,(H,27,28)/t;;;;23-/m....1/s1
InChIKeyMNDZQOJNZHSABA-YIMZAWGFSA-N
XLogP29.91
TPSA286.07 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002112.42
LogP ≤ 529.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide (CID 159614938) is (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2N(C)CCCN(C)C)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Nc1ccc2nccnc2c1.[C-]#[N+]c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C)c(-c2ccc3ccncc3c2)c1.[C-]#[N+]c1ccc(Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)cc1[N+]#[C-].
What is the InChIKey of (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is MNDZQOJNZHSABA-YIMZAWGFSA-N. The full InChI is InChI=1S/C30H31F3N4O.C25H16F3N3O.C24H23N5O.C24H21N5O.C24H21N3O/c1-20-6-10-25(18-26(20)22-8-7-21-12-13-34-19-23(21)16-22)35-29(38)27-17-24(30(31,32)33)9-11-28(27)37(4)15-5-14-36(2)3;1-15-3-7-20(13-21(15)17-5-4-16-9-10-30-14-18(16)11-17)31-24(32)22-12-19(25(26,27)28)6-8-23(22)29-2;1-16-7-8-19(28-24(30)17-5-4-6-20(13-17)29(2)3)14-22(16)27-18-9-10-21-23(15-18)26-12-11-25-21;1-16-9-10-19(28-24(30)17-7-6-8-20(13-17)29(4)5)14-22(16)27-18-11-12-21(25-2)23(15-18)26-3;1-16-7-10-21(27-24(28)23(25)18-5-3-2-4-6-18)14-22(16)19-9-8-17-11-12-26-15-20(17)13-19/h6-13,16-19H,5,14-15H2,1-4H3,(H,35,38);3-14H,1H3,(H,31,32);4-15,27H,1-3H3,(H,28,30);6-15,27H,1,4-5H3,(H,28,30);2-15,23H,25H2,1H3,(H,27,28)/t;;;;23-/m....1/s1.
What are the key properties of (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide?
(2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 2112.42 g/mol, XLogP of 29.91, 25 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenylacetamide;N-[3-(3,4-diisocyanoanilino)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[4-methyl-3-(quinoxalin-6-ylamino)phenyl]benzamide;2-[3-(dimethylamino)propyl-methylamino]-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide;2-isocyano-N-(3-isoquinolin-7-yl-4-methylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 159614938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).