tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide

C142H127F3N16O22 — CID 160896921

About tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide

tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide (PubChem CID 160896921) has the molecular formula C142H127F3N16O22 and a molecular weight of 2466.66 g/mol. Its IUPAC name is tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide
• PubChem CID: 160896921
• Molecular Formula: C142H127F3N16O22
• Molecular Weight: 2466.66 g/mol
• Exact Mass: 2464.93
• IUPAC Name: tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide
• SMILES: CC(C)(C)C(=O)Cc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.CC(C)(C)OC(=O)N1CCC(c2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CC1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cn1.Cc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2ncn(CCc3cccc(-c4ccccc4C(F)(F)F)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(-c3cccc(-c4ccncc4)c3)c(=O)c2c1
• InChI: InChI=1S/C29H29N3O4.C26H29N3O5.C25H19F3N2O3.C24H21N3O4.C21H15N3O3.C17H14N2O3/c1-29(2,3)27(35)16-25-22(8-5-12-30-25)20-7-4-6-19(14-20)11-13-32-18-31-24-10-9-21(26(34)17-33)15-23(24)28(32)36;1-26(2,3)34-25(32)28-12-9-17(10-13-28)19-5-4-6-21(15-19)29-14-11-18-7-8-20(23(30)27-33)16-22(18)24(29)31;26-25(27,28)21-7-2-1-6-19(21)17-5-3-4-16(12-17)10-11-30-15-29-22-9-8-18(23(32)14-31)13-20(22)24(30)33;1-31-23-8-6-19(13-25-23)17-4-2-3-16(11-17)9-10-27-15-26-21-7-5-18(22(29)14-28)12-20(21)24(27)30;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14;1-10-2-4-11(5-3-10)16-18-14-8-12(15(21)9-20)6-7-13(14)17(22)19-16/h4-10,12,14-15,18,33H,11,13,16-17H2,1-3H3;4-8,11,14-17,33H,9-10,12-13H2,1-3H3,(H,27,30);1-9,12-13,15,31H,10-11,14H2;2-8,11-13,15,28H,9-10,14H2,1H3;1-13,27H,(H,23,25);2-8,20H,9H2,1H3,(H,18,19,22)
• InChIKey: SOZOAQPIMKHIGC-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 536.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2466.66
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

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 tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?

The IUPAC name of tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide (CID 160896921) is tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide.

What is the SMILES notation for tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?

The canonical SMILES for tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide is CC(C)(C)C(=O)Cc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.CC(C)(C)OC(=O)N1CCC(c2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CC1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cn1.Cc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2ncn(CCc3cccc(-c4ccccc4C(F)(F)F)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(-c3cccc(-c4ccncc4)c3)c(=O)c2c1.

What is the InChIKey of tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?

The InChIKey is SOZOAQPIMKHIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4.C26H29N3O5.C25H19F3N2O3.C24H21N3O4.C21H15N3O3.C17H14N2O3/c1-29(2,3)27(35)16-25-22(8-5-12-30-25)20-7-4-6-19(14-20)11-13-32-18-31-24-10-9-21(26(34)17-33)15-23(24)28(32)36;1-26(2,3)34-25(32)28-12-9-17(10-13-28)19-5-4-6-21(15-19)29-14-11-18-7-8-20(23(30)27-33)16-22(18)24(29)31;26-25(27,28)21-7-2-1-6-19(21)17-5-3-4-16(12-17)10-11-30-15-29-22-9-8-18(23(32)14-31)13-20(22)24(30)33;1-31-23-8-6-19(13-25-23)17-4-2-3-16(11-17)9-10-27-15-26-21-7-5-18(22(29)14-28)12-20(21)24(27)30;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14;1-10-2-4-11(5-3-10)16-18-14-8-12(15(21)9-20)6-7-13(14)17(22)19-16/h4-10,12,14-15,18,33H,11,13,16-17H2,1-3H3;4-8,11,14-17,33H,9-10,12-13H2,1-3H3,(H,27,30);1-9,12-13,15,31H,10-11,14H2;2-8,11-13,15,28H,9-10,14H2,1H3;1-13,27H,(H,23,25);2-8,20H,9H2,1H3,(H,18,19,22).

What are the key properties of tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?

tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide has a molecular weight of 2466.66 g/mol, XLogP of 20.89, 30 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]phenyl]piperidine-1-carboxylate;3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide is sourced from PubChem (CID 160896921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).