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

C108H98ClF3N16O22 — CID 159299367

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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide (PubChem CID 159299367) has the molecular formula C108H98ClF3N16O22 and a molecular weight of 2064.51 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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide
• PubChem CID: 159299367
• Molecular Formula: C108H98ClF3N16O22
• Molecular Weight: 2064.51 g/mol
• Exact Mass: 2062.67
• 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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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(NO)c1ccc2c(=O)[nH]c(C(=O)NC3CCNCC3)nc2c1.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccc(Cl)cc1)C2=O.O=C(NO)c1ccc2ccn(CCN3CCCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3ccccn3)c(=O)c2c1
• InChI: InChI=1S/C24H20N2O4.C20H16F3NO4.C17H21N3O3.C16H11ClN2O4.C16H13N3O3.C15H17N5O4/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;21-16(18-23)14-5-4-13-6-9-20(17(22)15(13)12-14)11-10-19-7-2-1-3-8-19;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;21-13(20-24)8-1-2-10-11(7-8)18-12(19-14(10)22)15(23)17-9-3-5-16-6-4-9/h2-12,15,27H,13-14H2,1H3;1-7,10-11,25H,8-9,12H2;4-6,9,12,23H,1-3,7-8,10-11H2,(H,18,21);1-7,23H,8H2,(H,18,21);1-9,22H,10H2,(H,18,20);1-2,7,9,16,24H,3-6H2,(H,17,23)(H,20,21)(H,18,19,22)
• InChIKey: LBDBUMRPXOVLBO-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 531.66 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.51
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide (CID 159299367) 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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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(NO)c1ccc2c(=O)[nH]c(C(=O)NC3CCNCC3)nc2c1.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccc(Cl)cc1)C2=O.O=C(NO)c1ccc2ccn(CCN3CCCCC3)c(=O)c2c1.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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide?

The InChIKey is LBDBUMRPXOVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4.C20H16F3NO4.C17H21N3O3.C16H11ClN2O4.C16H13N3O3.C15H17N5O4/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;21-16(18-23)14-5-4-13-6-9-20(17(22)15(13)12-14)11-10-19-7-2-1-3-8-19;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;21-13(20-24)8-1-2-10-11(7-8)18-12(19-14(10)22)15(23)17-9-3-5-16-6-4-9/h2-12,15,27H,13-14H2,1H3;1-7,10-11,25H,8-9,12H2;4-6,9,12,23H,1-3,7-8,10-11H2,(H,18,21);1-7,23H,8H2,(H,18,21);1-9,22H,10H2,(H,18,20);1-2,7,9,16,24H,3-6H2,(H,17,23)(H,20,21)(H,18,19,22).

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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide has a molecular weight of 2064.51 g/mol, XLogP of 11.45, 24 rotatable bonds, 13 hydrogen bond donors, and 31 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;7-(2-hydroxyacetyl)-2-[2-[3-(trifluoromethyl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(2-piperidin-1-ylethyl)isoquinoline-7-carboxamide;7-N-hydroxy-4-oxo-2-N-piperidin-4-yl-3H-quinazoline-2,7-dicarboxamide;N-hydroxy-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-7-carboxamide is sourced from PubChem (CID 159299367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).