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

C116H107F3N14O21 — CID 157279313

IUPAC2-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
SMILESO=C(CO)c1ccc2ccn(CCCOc3ccc(OCc4ccccc4)cc3)c(=O)c2c1.O=C(NO)c1ccc2ccn(C3CCCCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCc3ccncc3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cc(F)cc(F)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cccc(N4CCOCC4)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C27H25NO5.C21H21N3O4.C18H17N3O3.C17H12F2N2O3.C17H20N2O3.C16H12FN3O3/c29-18-26(30)22-8-7-21-13-15-28(27(31)25(21)17-22)14-4-16-32-23-9-11-24(12-10-23)33-19-20-5-2-1-3-6-20;25-20(22-27)17-5-4-16-6-7-24(21(26)19(16)13-17)14-15-2-1-3-18(12-15)23-8-10-28-11-9-23;22-17(20-24)15-4-3-14-7-11-21(18(23)16(14)12-15)10-1-2-13-5-8-19-9-6-13;18-13-5-10(6-14(19)8-13)9-21-4-3-11-1-2-12(16(22)20-24)7-15(11)17(21)23;20-16(18-22)13-8-7-12-9-10-19(17(21)15(12)11-13)14-5-3-1-2-4-6-14;17-12-4-1-10(2-5-12)8-20-9-18-14-6-3-11(15(21)19-23)7-13(14)16(20)22/h1-3,5-13,15,17,29H,4,14,16,18-19H2;1-7,12-13,27H,8-11,14H2,(H,22,25);3-9,11-12,24H,1-2,10H2,(H,20,22);1-8,24H,9H2,(H,20,22);7-11,14,22H,1-6H2,(H,18,20);1-7,9,23H,8H2,(H,19,21)
InChIKeyAZLZMURXIWPEMV-UHFFFAOYSA-N
MW2090.20 g/mol
LogP15.54
Rot. Bonds27

About 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

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 (PubChem CID 157279313) has the molecular formula C116H107F3N14O21 and a molecular weight of 2090.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157279313
Molecular FormulaC116H107F3N14O21
Molecular Weight2090.20 g/mol
Exact Mass2088.77
IUPAC Name2-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
SMILESO=C(CO)c1ccc2ccn(CCCOc3ccc(OCc4ccccc4)cc3)c(=O)c2c1.O=C(NO)c1ccc2ccn(C3CCCCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCc3ccncc3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cc(F)cc(F)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cccc(N4CCOCC4)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C27H25NO5.C21H21N3O4.C18H17N3O3.C17H12F2N2O3.C17H20N2O3.C16H12FN3O3/c29-18-26(30)22-8-7-21-13-15-28(27(31)25(21)17-22)14-4-16-32-23-9-11-24(12-10-23)33-19-20-5-2-1-3-6-20;25-20(22-27)17-5-4-16-6-7-24(21(26)19(16)13-17)14-15-2-1-3-18(12-15)23-8-10-28-11-9-23;22-17(20-24)15-4-3-14-7-11-21(18(23)16(14)12-15)10-1-2-13-5-8-19-9-6-13;18-13-5-10(6-14(19)8-13)9-21-4-3-11-1-2-12(16(22)20-24)7-15(11)17(21)23;20-16(18-22)13-8-7-12-9-10-19(17(21)15(12)11-13)14-5-3-1-2-4-6-14;17-12-4-1-10(2-5-12)8-20-9-18-14-6-3-11(15(21)19-23)7-13(14)16(20)22/h1-3,5-13,15,17,29H,4,14,16,18-19H2;1-7,12-13,27H,8-11,14H2,(H,22,25);3-9,11-12,24H,1-2,10H2,(H,20,22);1-8,24H,9H2,(H,20,22);7-11,14,22H,1-6H2,(H,18,20);1-7,9,23H,8H2,(H,19,21)
InChIKeyAZLZMURXIWPEMV-UHFFFAOYSA-N
XLogP15.54
TPSA472.66 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.20
LogP ≤ 515.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CO)c1ccc2ccn(CCCOc3ccc(OCc4ccccc4)cc3)c(=O)c2c1.O=C(NO)c1ccc2ccn(C3CCCCCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCc3ccncc3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cc(F)cc(F)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(Cc3cccc(N4CCOCC4)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1.
What is the InChIKey of 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?
The InChIKey is AZLZMURXIWPEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5.C21H21N3O4.C18H17N3O3.C17H12F2N2O3.C17H20N2O3.C16H12FN3O3/c29-18-26(30)22-8-7-21-13-15-28(27(31)25(21)17-22)14-4-16-32-23-9-11-24(12-10-23)33-19-20-5-2-1-3-6-20;25-20(22-27)17-5-4-16-6-7-24(21(26)19(16)13-17)14-15-2-1-3-18(12-15)23-8-10-28-11-9-23;22-17(20-24)15-4-3-14-7-11-21(18(23)16(14)12-15)10-1-2-13-5-8-19-9-6-13;18-13-5-10(6-14(19)8-13)9-21-4-3-11-1-2-12(16(22)20-24)7-15(11)17(21)23;20-16(18-22)13-8-7-12-9-10-19(17(21)15(12)11-13)14-5-3-1-2-4-6-14;17-12-4-1-10(2-5-12)8-20-9-18-14-6-3-11(15(21)19-23)7-13(14)16(20)22/h1-3,5-13,15,17,29H,4,14,16,18-19H2;1-7,12-13,27H,8-11,14H2,(H,22,25);3-9,11-12,24H,1-2,10H2,(H,20,22);1-8,24H,9H2,(H,20,22);7-11,14,22H,1-6H2,(H,18,20);1-7,9,23H,8H2,(H,19,21).
What are the key properties of 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?
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 has a molecular weight of 2090.20 g/mol, XLogP of 15.54, 27 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157279313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).