2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide

C95H75ClF3N13O21 — CID 159678458

About 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide

2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 159678458) has the molecular formula C95H75ClF3N13O21 and a molecular weight of 1827.16 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide
• PubChem CID: 159678458
• Molecular Formula: C95H75ClF3N13O21
• Molecular Weight: 1827.16 g/mol
• Exact Mass: 1825.48
• IUPAC Name: 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide
• SMILES: COc1cccc(-c2cccc(Cn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(CO)c1ccc2ccn(CCOc3cccc(C(F)(F)F)c3)c(=O)c2c1.O=C(CO)c1ccc2nc[nH]c(=O)c2c1.O=C(NO)c1ccc2c(=O)[nH]cnc2c1.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccc(Cl)cc1)C2=O.O=C(NO)c1ccc2ccn(Cc3ccccn3)c(=O)c2c1
• InChI: InChI=1S/C24H20N2O4.C20H16F3NO4.C16H11ClN2O4.C16H13N3O3.C10H8N2O3.C9H7N3O3/c1-30-20-7-3-6-18(11-20)17-5-2-4-16(10-17)13-26-15-25-22-9-8-19(23(28)14-27)12-21(22)24(26)29;21-20(22,23)15-2-1-3-16(11-15)28-9-8-24-7-6-13-4-5-14(18(26)12-25)10-17(13)19(24)27;17-11-2-4-12(5-3-11)19-14(20)8-10-7-9(15(21)18-23)1-6-13(10)16(19)22;20-15(18-22)12-5-4-11-6-8-19(16(21)14(11)9-12)10-13-3-1-2-7-17-13;13-4-9(14)6-1-2-8-7(3-6)10(15)12-5-11-8;13-8(12-15)5-1-2-6-7(3-5)10-4-11-9(6)14/h2-12,15,27H,13-14H2,1H3;1-7,10-11,25H,8-9,12H2;1-7,23H,8H2,(H,18,21);1-9,22H,10H2,(H,18,20);1-3,5,13H,4H2,(H,11,12,15);1-4,15H,(H,12,13)(H,10,11,14)
• InChIKey: MUXIFCXFGDAZRQ-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 499.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1827.16
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide?

The IUPAC name of 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide (CID 159678458) is 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide is COc1cccc(-c2cccc(Cn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(CO)c1ccc2ccn(CCOc3cccc(C(F)(F)F)c3)c(=O)c2c1.O=C(CO)c1ccc2nc[nH]c(=O)c2c1.O=C(NO)c1ccc2c(=O)[nH]cnc2c1.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccc(Cl)cc1)C2=O.O=C(NO)c1ccc2ccn(Cc3ccccn3)c(=O)c2c1.

What is the InChIKey of 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide?

The InChIKey is MUXIFCXFGDAZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4.C20H16F3NO4.C16H11ClN2O4.C16H13N3O3.C10H8N2O3.C9H7N3O3/c1-30-20-7-3-6-18(11-20)17-5-2-4-16(10-17)13-26-15-25-22-9-8-19(23(28)14-27)12-21(22)24(26)29;21-20(22,23)15-2-1-3-16(11-15)28-9-8-24-7-6-13-4-5-14(18(26)12-25)10-17(13)19(24)27;17-11-2-4-12(5-3-11)19-14(20)8-10-7-9(15(21)18-23)1-6-13(10)16(19)22;20-15(18-22)12-5-4-11-6-8-19(16(21)14(11)9-12)10-13-3-1-2-7-17-13;13-4-9(14)6-1-2-8-7(3-6)10(15)12-5-11-8;13-8(12-15)5-1-2-6-7(3-5)10-4-11-9(6)14/h2-12,15,27H,13-14H2,1H3;1-7,10-11,25H,8-9,12H2;1-7,23H,8H2,(H,18,21);1-9,22H,10H2,(H,18,20);1-3,5,13H,4H2,(H,11,12,15);1-4,15H,(H,12,13)(H,10,11,14).

What are the key properties of 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide?

2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 1827.16 g/mol, XLogP of 10.46, 20 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;6-(2-hydroxyacetyl)-3-[[3-(3-methoxyphenyl)phenyl]methyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide;N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 159678458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).