2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide

C107H91F2N13O22 — CID 158727139

IUPAC2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
SMILESCc1ccc(OCCCn2ccc3ccc(C(=O)CO)cc3c2=O)cc1.O=C(NO)c1ccc2c(c1)CC(=O)N(Cc1ccccc1)C2=O.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccccc1)C2=O.O=C(NO)c1ccc2ccn(CCOc3cccc4c3CCC4)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cc(F)ccc3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccccn3)c(=O)c2c1
InChIInChI=1S/C21H20N2O4.C21H21NO4.C17H12F2N2O3.C17H14N2O4.C16H12N2O4.C15H12N4O3/c24-20(22-26)16-8-7-15-9-10-23(21(25)18(15)13-16)11-12-27-19-6-2-4-14-3-1-5-17(14)19;1-15-3-7-18(8-4-15)26-12-2-10-22-11-9-16-5-6-17(20(24)14-23)13-19(16)21(22)25;18-13-3-4-15(19)12(7-13)9-21-6-5-10-1-2-11(16(22)20-24)8-14(10)17(21)23;20-15-9-13-8-12(16(21)18-23)6-7-14(13)17(22)19(15)10-11-4-2-1-3-5-11;19-14-9-11-8-10(15(20)17-22)6-7-13(11)16(21)18(14)12-4-2-1-3-5-12;20-14(18-22)10-4-5-13-12(7-10)15(21)19(9-17-13)8-11-3-1-2-6-16-11/h2,4,6-10,13,26H,1,3,5,11-12H2,(H,22,24);3-9,11,13,23H,2,10,12,14H2,1H3;1-8,24H,9H2,(H,20,22);1-8,23H,9-10H2,(H,18,21);1-8,22H,9H2,(H,17,20);1-7,9,22H,8H2,(H,18,20)
InChIKeyIKQMBHQSBPAJBX-UHFFFAOYSA-N
MW1948.97 g/mol
LogP12.11
Rot. Bonds23

About 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide

2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide (PubChem CID 158727139) has the molecular formula C107H91F2N13O22 and a molecular weight of 1948.97 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
PubChem CID158727139
Molecular FormulaC107H91F2N13O22
Molecular Weight1948.97 g/mol
Exact Mass1947.64
IUPAC Name2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
SMILESCc1ccc(OCCCn2ccc3ccc(C(=O)CO)cc3c2=O)cc1.O=C(NO)c1ccc2c(c1)CC(=O)N(Cc1ccccc1)C2=O.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccccc1)C2=O.O=C(NO)c1ccc2ccn(CCOc3cccc4c3CCC4)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cc(F)ccc3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccccn3)c(=O)c2c1
InChIInChI=1S/C21H20N2O4.C21H21NO4.C17H12F2N2O3.C17H14N2O4.C16H12N2O4.C15H12N4O3/c24-20(22-26)16-8-7-15-9-10-23(21(25)18(15)13-16)11-12-27-19-6-2-4-14-3-1-5-17(14)19;1-15-3-7-18(8-4-15)26-12-2-10-22-11-9-16-5-6-17(20(24)14-23)13-19(16)21(22)25;18-13-3-4-15(19)12(7-13)9-21-6-5-10-1-2-11(16(22)20-24)8-14(10)17(21)23;20-15-9-13-8-12(16(21)18-23)6-7-14(13)17(22)19(15)10-11-4-2-1-3-5-11;19-14-9-11-8-10(15(20)17-22)6-7-13(11)16(21)18(14)12-4-2-1-3-5-12;20-14(18-22)10-4-5-13-12(7-10)15(21)19(9-17-13)8-11-3-1-2-6-16-11/h2,4,6-10,13,26H,1,3,5,11-12H2,(H,22,24);3-9,11,13,23H,2,10,12,14H2,1H3;1-8,24H,9H2,(H,20,22);1-8,23H,9-10H2,(H,18,21);1-8,22H,9H2,(H,17,20);1-7,9,22H,8H2,(H,18,20)
InChIKeyIKQMBHQSBPAJBX-UHFFFAOYSA-N
XLogP12.11
TPSA490.95 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.97
LogP ≤ 512.11
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-cycloheptyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(3,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[(4-fluorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-phenylmethoxyphenoxy)propyl]isoquinolin-1-one;N-hydroxy-2-[(3-morpholin-4-ylphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-(3-pyridin-4-ylpropyl)isoquinoline-7-carboxamide
CID 157279313
2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-(3-pyridin-4-ylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide
CID 157662333
2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide
CID 159867933
2-cycloheptyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[(3,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;3-[(4-fluorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-phenylmethoxyphenoxy)propyl]isoquinolin-1-one;N-hydroxy-2-[(3-methylphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-(3-pyridin-4-ylpropyl)isoquinoline-7-carboxamide
CID 161502733
2-[3-(1-ethylpiperidin-4-yl)phenyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;6-(2-hydroxyacetyl)-3-[2-[3-(4-methoxyphenyl)phenyl]ethyl]quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(3-methylphenyl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-1-oxo-2-(3-piperidin-4-ylphenyl)-5,6-dihydroisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[(4-pyrrol-1-ylphenyl)methyl]isoquinoline-7-carboxamide
CID 162139527

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
The IUPAC name of 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide (CID 158727139) is 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
The canonical SMILES for 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide is Cc1ccc(OCCCn2ccc3ccc(C(=O)CO)cc3c2=O)cc1.O=C(NO)c1ccc2c(c1)CC(=O)N(Cc1ccccc1)C2=O.O=C(NO)c1ccc2c(c1)CC(=O)N(c1ccccc1)C2=O.O=C(NO)c1ccc2ccn(CCOc3cccc4c3CCC4)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cc(F)ccc3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccccn3)c(=O)c2c1.
What is the InChIKey of 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
The InChIKey is IKQMBHQSBPAJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4.C21H21NO4.C17H12F2N2O3.C17H14N2O4.C16H12N2O4.C15H12N4O3/c24-20(22-26)16-8-7-15-9-10-23(21(25)18(15)13-16)11-12-27-19-6-2-4-14-3-1-5-17(14)19;1-15-3-7-18(8-4-15)26-12-2-10-22-11-9-16-5-6-17(20(24)14-23)13-19(16)21(22)25;18-13-3-4-15(19)12(7-13)9-21-6-5-10-1-2-11(16(22)20-24)8-14(10)17(21)23;20-15-9-13-8-12(16(21)18-23)6-7-14(13)17(22)19(15)10-11-4-2-1-3-5-11;19-14-9-11-8-10(15(20)17-22)6-7-13(11)16(21)18(14)12-4-2-1-3-5-12;20-14(18-22)10-4-5-13-12(7-10)15(21)19(9-17-13)8-11-3-1-2-6-16-11/h2,4,6-10,13,26H,1,3,5,11-12H2,(H,22,24);3-9,11,13,23H,2,10,12,14H2,1H3;1-8,24H,9H2,(H,20,22);1-8,23H,9-10H2,(H,18,21);1-8,22H,9H2,(H,17,20);1-7,9,22H,8H2,(H,18,20).
What are the key properties of 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide?
2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide has a molecular weight of 1948.97 g/mol, XLogP of 12.11, 23 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-1,3-dioxo-4H-isoquinoline-6-carboxamide;2-[(2,5-difluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-[2-(2,3-dihydro-1H-inden-4-yloxy)ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[3-(4-methylphenoxy)propyl]isoquinolin-1-one;N-hydroxy-1,3-dioxo-2-phenyl-4H-isoquinoline-6-carboxamide;N-hydroxy-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-6-carboxamide is sourced from PubChem (CID 158727139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).