2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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

C77H77N11O13 — CID 159376486

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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
SMILESCc1noc(C)c1CC(=O)N1CCc2cc(C(=O)NO)ccc2C1.O=C(NO)c1ccc2c(c1)CCN(C(=O)CCn1ccc3ccccc31)C2.O=C(NO)c1ccc2c(c1)CCN(C(=O)Cc1ccccc1)C2.O=C(NO)c1ccc2c(c1)CCN(C(=O)c1ccc(-n3cccc3)cc1)C2
InChIInChI=1S/C21H19N3O3.C21H21N3O3.C18H18N2O3.C17H19N3O4/c25-20(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;25-20(9-12-23-10-7-15-3-1-2-4-19(15)23)24-11-8-16-13-17(21(26)22-27)5-6-18(16)14-24;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/h1-8,10-11,13,27H,9,12,14H2,(H,22,25);1-7,10,13,27H,8-9,11-12,14H2,(H,22,26);1-7,11,23H,8-10,12H2,(H,19,22);3-4,7,23H,5-6,8-9H2,1-2H3,(H,18,22)
InChIKeyLKJLIEAXFUWZFP-UHFFFAOYSA-N
MW1364.53 g/mol
LogP9.00
Rot. Bonds13

About 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 159376486) has the molecular formula C77H77N11O13 and a molecular weight of 1364.53 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 CID159376486
Molecular FormulaC77H77N11O13
Molecular Weight1364.53 g/mol
Exact Mass1363.57
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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
SMILESCc1noc(C)c1CC(=O)N1CCc2cc(C(=O)NO)ccc2C1.O=C(NO)c1ccc2c(c1)CCN(C(=O)CCn1ccc3ccccc31)C2.O=C(NO)c1ccc2c(c1)CCN(C(=O)Cc1ccccc1)C2.O=C(NO)c1ccc2c(c1)CCN(C(=O)c1ccc(-n3cccc3)cc1)C2
InChIInChI=1S/C21H19N3O3.C21H21N3O3.C18H18N2O3.C17H19N3O4/c25-20(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;25-20(9-12-23-10-7-15-3-1-2-4-19(15)23)24-11-8-16-13-17(21(26)22-27)5-6-18(16)14-24;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/h1-8,10-11,13,27H,9,12,14H2,(H,22,25);1-7,10,13,27H,8-9,11-12,14H2,(H,22,26);1-7,11,23H,8-10,12H2,(H,19,22);3-4,7,23H,5-6,8-9H2,1-2H3,(H,18,22)
InChIKeyLKJLIEAXFUWZFP-UHFFFAOYSA-N
XLogP9.00
TPSA314.45 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001364.53
LogP ≤ 59.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]-N-(quinolin-4-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 171676713
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-(3-indol-1-ylpropanoyl)-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 157900999
3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]-2-bicyclo[3.3.1]nonanyl]propanamide;N-[cyclohexyl-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[cyclohexyl-[3-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[1-(1H-indol-4-yl)-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[(1-oxo-2-phenyl-3,4-dihydroisoquinolin-5-yl)-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
CID 158634548
tert-butyl 5-[(5-methyl-1,2-oxazol-4-yl)methyl]-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 158721117
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
[2-cyclopentyl-5-[(5-methyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone;[5-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 160074178
3-[5-Tert-butyl-2-methyl-3-(2-methylquinolin-1-ium-1-yl)phenyl]-2-methyl-1,2-benzoxazol-2-ium;3-[2,5-dimethyl-3-(3-methylisoquinolin-2-ium-2-yl)phenyl]-2-methyl-1,2-benzoxazol-2-ium;3-[5-isocyano-2-methyl-3-(2-methylquinolin-1-ium-1-yl)phenyl]-2-methyl-1,2-benzoxazol-2-ium;2-methyl-3-[2,4,6-trimethyl-3-(3-methylisoquinolin-2-ium-2-yl)phenyl]-1,2-benzoxazol-2-ium
CID 160675210
tert-butyl 5-[(5-methyl-1,2-oxazol-4-yl)methyl]-8-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;[5-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydropyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 160727921
6-benzyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide;7-(4-tert-butylbenzoyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;6-[2-(2-tert-butylphenyl)acetyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide;N-hydroxy-6-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide;N-hydroxy-6-(1-methylpyrrole-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide;N-hydroxy-7-(3-phenyl-1H-indole-2-carbonyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;N-hydroxy-6-(5-pyridin-2-ylthiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 161039811
N-[(3,4-dimethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-(methylamino)-5-(6-methyl-3-pyridinyl)benzamide;N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(methylamino)-5-(6-methyl-3-pyridinyl)benzamide;N-[(3,4-dimethyl-2H-pyrrol-5-yl)methyl]-2-methyl-3-(methylamino)-5-(6-methyl-3-pyridinyl)benzamide
CID 161631311
6,8-dimethyl-N-[4-[methyl-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177319648
6,8-dimethyl-N-[4-[methyl-[3-(3-methyl-1,2-oxazol-5-yl)propyl]carbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177319734

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 159376486) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 Cc1noc(C)c1CC(=O)N1CCc2cc(C(=O)NO)ccc2C1.O=C(NO)c1ccc2c(c1)CCN(C(=O)CCn1ccc3ccccc31)C2.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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 LKJLIEAXFUWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3.C21H21N3O3.C18H18N2O3.C17H19N3O4/c25-20(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;25-20(9-12-23-10-7-15-3-1-2-4-19(15)23)24-11-8-16-13-17(21(26)22-27)5-6-18(16)14-24;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/h1-8,10-11,13,27H,9,12,14H2,(H,22,25);1-7,10,13,27H,8-9,11-12,14H2,(H,22,26);1-7,11,23H,8-10,12H2,(H,19,22);3-4,7,23H,5-6,8-9H2,1-2H3,(H,18,22).
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 1364.53 g/mol, XLogP of 9.00, 13 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(3-indol-1-ylpropanoyl)-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 159376486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).