2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide

C95H101N15O17 — CID 159758719

About 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 159758719) has the molecular formula C95H101N15O17 and a molecular weight of 1724.94 g/mol. Its IUPAC name is 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
• PubChem CID: 159758719
• Molecular Formula: C95H101N15O17
• Molecular Weight: 1724.94 g/mol
• Exact Mass: 1723.75
• IUPAC Name: 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
• SMILES: CC(=O)N[C@H](CC(C)C)C(=O)N1CCc2cc(C(=O)NO)ccc2C1.Cc1c(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)cnn1-c1ccccc1.Cc1noc(C)c1CC(=O)N1CCc2cc(C(=O)NO)ccc2C1.O=C(NO)c1ccc2c(c1)CCN(C(=O)Cc1ccccc1)C2.O=C(NO)c1ccc2c(c1)CCN(C(=O)c1ccc(-n3cccc3)cc1)C2
• InChI: InChI=1S/C21H20N4O3.C21H19N3O3.C18H25N3O4.C18H18N2O3.C17H19N3O4/c1-14-19(12-22-25(14)18-5-3-2-4-6-18)21(27)24-10-9-15-11-16(20(26)23-28)7-8-17(15)13-24;25-20(22-27)17-3-4-18-14-24(12-9-16(18)13-17)21(26)15-5-7-19(8-6-15)23-10-1-2-11-23;1-11(2)8-16(19-12(3)22)18(24)21-7-6-13-9-14(17(23)20-25)4-5-15(13)10-21;21-17(10-13-4-2-1-3-5-13)20-9-8-14-11-15(18(22)19-23)6-7-16(14)12-20;1-10-15(11(2)24-19-10)8-16(21)20-6-5-12-7-13(17(22)18-23)3-4-14(12)9-20/h2-8,11-12,28H,9-10,13H2,1H3,(H,23,26);1-8,10-11,13,27H,9,12,14H2,(H,22,25);4-5,9,11,16,25H,6-8,10H2,1-3H3,(H,19,22)(H,20,23);1-7,11,23H,8-10,12H2,(H,19,22);3-4,7,23H,5-6,8-9H2,1-2H3,(H,18,22)/t;;16-;;/m..1../s1
• InChIKey: NEPJMCXCPPTTRC-DCLDFRDVSA-N
• XLogP: 10.00
• TPSA: 426.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1724.94
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?

The IUPAC name of 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 159758719) is 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide.

What is the SMILES notation for 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?

The canonical SMILES for 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide is CC(=O)N[C@H](CC(C)C)C(=O)N1CCc2cc(C(=O)NO)ccc2C1.Cc1c(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)cnn1-c1ccccc1.Cc1noc(C)c1CC(=O)N1CCc2cc(C(=O)NO)ccc2C1.O=C(NO)c1ccc2c(c1)CCN(C(=O)Cc1ccccc1)C2.O=C(NO)c1ccc2c(c1)CCN(C(=O)c1ccc(-n3cccc3)cc1)C2.

What is the InChIKey of 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?

The InChIKey is NEPJMCXCPPTTRC-DCLDFRDVSA-N. The full InChI is InChI=1S/C21H20N4O3.C21H19N3O3.C18H25N3O4.C18H18N2O3.C17H19N3O4/c1-14-19(12-22-25(14)18-5-3-2-4-6-18)21(27)24-10-9-15-11-16(20(26)23-28)7-8-17(15)13-24;25-20(22-27)17-3-4-18-14-24(12-9-16(18)13-17)21(26)15-5-7-19(8-6-15)23-10-1-2-11-23;1-11(2)8-16(19-12(3)22)18(24)21-7-6-13-9-14(17(23)20-25)4-5-15(13)10-21;21-17(10-13-4-2-1-3-5-13)20-9-8-14-11-15(18(22)19-23)6-7-16(14)12-20;1-10-15(11(2)24-19-10)8-16(21)20-6-5-12-7-13(17(22)18-23)3-4-14(12)9-20/h2-8,11-12,28H,9-10,13H2,1H3,(H,23,26);1-8,10-11,13,27H,9,12,14H2,(H,22,25);4-5,9,11,16,25H,6-8,10H2,1-3H3,(H,19,22)(H,20,23);1-7,11,23H,8-10,12H2,(H,19,22);3-4,7,23H,5-6,8-9H2,1-2H3,(H,18,22)/t;;16-;;/m..1../s1.

What are the key properties of 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?

2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 1724.94 g/mol, XLogP of 10.00, 17 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-acetamido-4-methylpentanoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(2-phenylacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 159758719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).