2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide

C96H81ClF4N12O18 — CID 158127317

About 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide

2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide (PubChem CID 158127317) has the molecular formula C96H81ClF4N12O18 and a molecular weight of 1802.21 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide
• PubChem CID: 158127317
• Molecular Formula: C96H81ClF4N12O18
• Molecular Weight: 1802.21 g/mol
• Exact Mass: 1800.54
• IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide
• SMILES: COc1ccc(Cc2nc3cc(C(=O)NO)ccc3c(=O)n2C)cc1.COc1ccccc1OCCn1ccc2ccc(C(=O)CO)cc2c1=O.Cn1c(CCc2ccncc2)nc2cc(C(=O)NO)ccc2c1=O.O=C(CO)c1ccc2ncn(Cc3cccc(-c4cccc(C(F)(F)F)c4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3ccc(F)cc3Cl)c(=O)c2c1
• InChI: InChI=1S/C24H17F3N2O3.C20H19NO5.C18H17N3O4.C17H12ClFN2O3.C17H16N4O3/c25-24(26,27)19-6-2-5-17(10-19)16-4-1-3-15(9-16)12-29-14-28-21-8-7-18(22(31)13-30)11-20(21)23(29)32;1-25-18-4-2-3-5-19(18)26-11-10-21-9-8-14-6-7-15(17(23)13-22)12-16(14)20(21)24;1-21-16(9-11-3-6-13(25-2)7-4-11)19-15-10-12(17(22)20-24)5-8-14(15)18(21)23;18-15-8-13(19)4-3-12(15)9-21-6-5-10-1-2-11(16(22)20-24)7-14(10)17(21)23;1-21-15(5-2-11-6-8-18-9-7-11)19-14-10-12(16(22)20-24)3-4-13(14)17(21)23/h1-11,14,30H,12-13H2;2-9,12,22H,10-11,13H2,1H3;3-8,10,24H,9H2,1-2H3,(H,20,22);1-8,24H,9H2,(H,20,22);3-4,6-10,24H,2,5H2,1H3,(H,20,22)
• InChIKey: FSIPEYVDXWMPKD-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 411.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1802.21
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide?

The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide (CID 158127317) is 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide.

What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide?

The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide is COc1ccc(Cc2nc3cc(C(=O)NO)ccc3c(=O)n2C)cc1.COc1ccccc1OCCn1ccc2ccc(C(=O)CO)cc2c1=O.Cn1c(CCc2ccncc2)nc2cc(C(=O)NO)ccc2c1=O.O=C(CO)c1ccc2ncn(Cc3cccc(-c4cccc(C(F)(F)F)c4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3ccc(F)cc3Cl)c(=O)c2c1.

What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide?

The InChIKey is FSIPEYVDXWMPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3.C20H19NO5.C18H17N3O4.C17H12ClFN2O3.C17H16N4O3/c25-24(26,27)19-6-2-5-17(10-19)16-4-1-3-15(9-16)12-29-14-28-21-8-7-18(22(31)13-30)11-20(21)23(29)32;1-25-18-4-2-3-5-19(18)26-11-10-21-9-8-14-6-7-15(17(23)13-22)12-16(14)20(21)24;1-21-16(9-11-3-6-13(25-2)7-4-11)19-15-10-12(17(22)20-24)5-8-14(15)18(21)23;18-15-8-13(19)4-3-12(15)9-21-6-5-10-1-2-11(16(22)20-24)7-14(10)17(21)23;1-21-15(5-2-11-6-8-18-9-7-11)19-14-10-12(16(22)20-24)3-4-13(14)17(21)23/h1-11,14,30H,12-13H2;2-9,12,22H,10-11,13H2,1H3;3-8,10,24H,9H2,1-2H3,(H,20,22);1-8,24H,9H2,(H,20,22);3-4,6-10,24H,2,5H2,1H3,(H,20,22).

What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide?

2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide has a molecular weight of 1802.21 g/mol, XLogP of 12.42, 23 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-4-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(4-methoxyphenyl)methyl]-3-methyl-4-oxoquinazoline-7-carboxamide;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 158127317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).