2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide

C93H85ClN12O20S — CID 158049926

IUPAC2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide
SMILESCCN(CC)c1nc2ccc(C(=O)NO)cc2c(=O)n1C.COc1cc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)cc(OC)c1.CS(=O)(=O)Cc1cccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)c1.O=C(CO)c1ccc2ccn(CCOc3ccccc3Cl)c(=O)c2c1.O=C(NO)c1ccc2ccn(C3c4ccccc4-c4ccccc43)c(=O)c2c1
InChIInChI=1S/C23H16N2O3.C19H16ClNO4.C19H18N2O5.C18H17N3O5S.C14H18N4O3/c26-22(24-28)15-10-9-14-11-12-25(23(27)20(14)13-15)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;20-16-3-1-2-4-18(16)25-10-9-21-8-7-13-5-6-14(17(23)12-22)11-15(13)19(21)24;1-25-15-7-12(8-16(10-15)26-2)11-21-6-5-13-3-4-14(18(22)20-24)9-17(13)19(21)23;1-27(25,26)10-13-4-2-3-12(7-13)9-21-11-19-16-6-5-14(17(22)20-24)8-15(16)18(21)23;1-4-18(5-2)14-15-11-7-6-9(12(19)16-21)8-10(11)13(20)17(14)3/h1-13,21,28H,(H,24,26);1-8,11,22H,9-10,12H2;3-10,24H,11H2,1-2H3,(H,20,22);2-8,11,24H,9-10H2,1H3,(H,20,22);6-8,21H,4-5H2,1-3H3,(H,16,19)
InChIKeyFJIVEHTWJJDBKR-UHFFFAOYSA-N
MW1758.29 g/mol
LogP10.84
Rot. Bonds22

About 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide

2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide (PubChem CID 158049926) has the molecular formula C93H85ClN12O20S and a molecular weight of 1758.29 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide
PubChem CID158049926
Molecular FormulaC93H85ClN12O20S
Molecular Weight1758.29 g/mol
Exact Mass1756.54
IUPAC Name2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide
SMILESCCN(CC)c1nc2ccc(C(=O)NO)cc2c(=O)n1C.COc1cc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)cc(OC)c1.CS(=O)(=O)Cc1cccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)c1.O=C(CO)c1ccc2ccn(CCOc3ccccc3Cl)c(=O)c2c1.O=C(NO)c1ccc2ccn(C3c4ccccc4-c4ccccc43)c(=O)c2c1
InChIInChI=1S/C23H16N2O3.C19H16ClNO4.C19H18N2O5.C18H17N3O5S.C14H18N4O3/c26-22(24-28)15-10-9-14-11-12-25(23(27)20(14)13-15)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;20-16-3-1-2-4-18(16)25-10-9-21-8-7-13-5-6-14(17(23)12-22)11-15(13)19(21)24;1-25-15-7-12(8-16(10-15)26-2)11-21-6-5-13-3-4-14(18(22)20-24)9-17(13)19(21)23;1-27(25,26)10-13-4-2-3-12(7-13)9-21-11-19-16-6-5-14(17(22)20-24)8-15(16)18(21)23;1-4-18(5-2)14-15-11-7-6-9(12(19)16-21)8-10(11)13(20)17(14)3/h1-13,21,28H,(H,24,26);1-8,11,22H,9-10,12H2;3-10,24H,11H2,1-2H3,(H,20,22);2-8,11,24H,9-10H2,1H3,(H,20,22);6-8,21H,4-5H2,1-3H3,(H,16,19)
InChIKeyFJIVEHTWJJDBKR-UHFFFAOYSA-N
XLogP10.84
TPSA435.47 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.29
LogP ≤ 510.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide with MolForge

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Related Compounds

2-amino-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide
CID 158112457
2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87337589
tert-butyl 4-[[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]propyl]-N-(4-methoxyphenyl)carbamate;2-[(2-chloro-6-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-[4-(thiadiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-2-[(4-methylsulfonylphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-6-carboxamide
CID 160616600
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
2-(1,3-benzothiazol-2-ylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(4-imidazol-1-ylphenoxy)ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-[2-(4-phenylmethoxyphenoxy)ethyl]isoquinolin-1-one;N-hydroxy-4-oxo-3-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(3-pyrrol-1-ylpropyl)isoquinoline-7-carboxamide
CID 159647652
6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
CID 158311258
7-(2-hydroxyacetyl)-2-[2-(4-phenylmethoxyphenoxy)ethyl]isoquinolin-1-one
CID 159647654
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide
CID 159657375
N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
CID 87413865
tert-butyl 4-[2-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[[7-(hydroxycarbamoyl)-4-oxo-3H-quinazolin-2-yl]methylamino]piperidine-1-carboxylate;3-(cyclopropylmethyl)-7-(2-hydroxyacetyl)quinazolin-4-one;N-[3-[3-[[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]methyl]phenyl]phenyl]acetamide;N-hydroxy-3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide;N-hydroxy-3-[2-(3-methylpyrazol-1-yl)ethyl]-4-oxoquinazoline-6-carboxamide
CID 161309972

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide (CID 158049926) is 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide is CCN(CC)c1nc2ccc(C(=O)NO)cc2c(=O)n1C.COc1cc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)cc(OC)c1.CS(=O)(=O)Cc1cccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)c1.O=C(CO)c1ccc2ccn(CCOc3ccccc3Cl)c(=O)c2c1.O=C(NO)c1ccc2ccn(C3c4ccccc4-c4ccccc43)c(=O)c2c1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide?
The InChIKey is FJIVEHTWJJDBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3.C19H16ClNO4.C19H18N2O5.C18H17N3O5S.C14H18N4O3/c26-22(24-28)15-10-9-14-11-12-25(23(27)20(14)13-15)21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21;20-16-3-1-2-4-18(16)25-10-9-21-8-7-13-5-6-14(17(23)12-22)11-15(13)19(21)24;1-25-15-7-12(8-16(10-15)26-2)11-21-6-5-13-3-4-14(18(22)20-24)9-17(13)19(21)23;1-27(25,26)10-13-4-2-3-12(7-13)9-21-11-19-16-6-5-14(17(22)20-24)8-15(16)18(21)23;1-4-18(5-2)14-15-11-7-6-9(12(19)16-21)8-10(11)13(20)17(14)3/h1-13,21,28H,(H,24,26);1-8,11,22H,9-10,12H2;3-10,24H,11H2,1-2H3,(H,20,22);2-8,11,24H,9-10H2,1H3,(H,20,22);6-8,21H,4-5H2,1-3H3,(H,16,19).
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide?
2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide has a molecular weight of 1758.29 g/mol, XLogP of 10.84, 22 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 158049926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).