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

C115H109N13O16 — CID 162139527

IUPAC2-[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
SMILESCCN1CCC(c2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CC1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cc1.Cc1cccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(NO)C1=Cc2c(ccn(-c3cccc(C4CCNCC4)c3)c2=O)CC1.O=C(NO)c1ccc2ccn(Cc3ccc(-n4cccc4)cc3)c(=O)c2c1
InChIInChI=1S/C25H22N2O4.C25H22N2O3.C23H25N3O3.C21H17N3O3.C21H23N3O3/c1-31-21-8-5-18(6-9-21)19-4-2-3-17(13-19)11-12-27-16-26-23-10-7-20(24(29)15-28)14-22(23)25(27)30;1-17-4-2-6-19(12-17)20-7-3-5-18(13-20)10-11-27-16-26-23-9-8-21(24(29)15-28)14-22(23)25(27)30;1-2-25-11-8-16(9-12-25)18-4-3-5-20(14-18)26-13-10-17-6-7-19(22(27)24-29)15-21(17)23(26)28;25-20(22-27)17-6-5-16-9-12-24(21(26)19(16)13-17)14-15-3-7-18(8-4-15)23-10-1-2-11-23;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14/h2-10,13-14,16,28H,11-12,15H2,1H3;2-9,12-14,16,28H,10-11,15H2,1H3;3-7,10,13-16,29H,2,8-9,11-12H2,1H3,(H,24,27);1-13,27H,14H2,(H,22,25);1-3,8,11-14,22,27H,4-7,9-10H2,(H,23,25)
InChIKeyZJSYHGHLCNKTHW-UHFFFAOYSA-N
MW1929.21 g/mol
LogP15.69
Rot. Bonds24

About 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

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 (PubChem CID 162139527) has the molecular formula C115H109N13O16 and a molecular weight of 1929.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162139527
Molecular FormulaC115H109N13O16
Molecular Weight1929.21 g/mol
Exact Mass1927.81
IUPAC Name2-[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
SMILESCCN1CCC(c2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CC1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cc1.Cc1cccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(NO)C1=Cc2c(ccn(-c3cccc(C4CCNCC4)c3)c2=O)CC1.O=C(NO)c1ccc2ccn(Cc3ccc(-n4cccc4)cc3)c(=O)c2c1
InChIInChI=1S/C25H22N2O4.C25H22N2O3.C23H25N3O3.C21H17N3O3.C21H23N3O3/c1-31-21-8-5-18(6-9-21)19-4-2-3-17(13-19)11-12-27-16-26-23-10-7-20(24(29)15-28)14-22(23)25(27)30;1-17-4-2-6-19(12-17)20-7-3-5-18(13-20)10-11-27-16-26-23-9-8-21(24(29)15-28)14-22(23)25(27)30;1-2-25-11-8-16(9-12-25)18-4-3-5-20(14-18)26-13-10-17-6-7-19(22(27)24-29)15-21(17)23(26)28;25-20(22-27)17-6-5-16-9-12-24(21(26)19(16)13-17)14-15-3-7-18(8-4-15)23-10-1-2-11-23;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14/h2-10,13-14,16,28H,11-12,15H2,1H3;2-9,12-14,16,28H,10-11,15H2,1H3;3-7,10,13-16,29H,2,8-9,11-12H2,1H3,(H,24,27);1-13,27H,14H2,(H,22,25);1-3,8,11-14,22,27H,4-7,9-10H2,(H,23,25)
InChIKeyZJSYHGHLCNKTHW-UHFFFAOYSA-N
XLogP15.69
TPSA387.80 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.21
LogP ≤ 515.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(c2cccc(-n3ccc4ccc(C(=O)NO)cc4c3=O)c2)CC1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cc1.Cc1cccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(NO)C1=Cc2c(ccn(-c3cccc(C4CCNCC4)c3)c2=O)CC1.O=C(NO)c1ccc2ccn(Cc3ccc(-n4cccc4)cc3)c(=O)c2c1.
What is the InChIKey of 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?
The InChIKey is ZJSYHGHLCNKTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4.C25H22N2O3.C23H25N3O3.C21H17N3O3.C21H23N3O3/c1-31-21-8-5-18(6-9-21)19-4-2-3-17(13-19)11-12-27-16-26-23-10-7-20(24(29)15-28)14-22(23)25(27)30;1-17-4-2-6-19(12-17)20-7-3-5-18(13-20)10-11-27-16-26-23-9-8-21(24(29)15-28)14-22(23)25(27)30;1-2-25-11-8-16(9-12-25)18-4-3-5-20(14-18)26-13-10-17-6-7-19(22(27)24-29)15-21(17)23(26)28;25-20(22-27)17-6-5-16-9-12-24(21(26)19(16)13-17)14-15-3-7-18(8-4-15)23-10-1-2-11-23;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14/h2-10,13-14,16,28H,11-12,15H2,1H3;2-9,12-14,16,28H,10-11,15H2,1H3;3-7,10,13-16,29H,2,8-9,11-12H2,1H3,(H,24,27);1-13,27H,14H2,(H,22,25);1-3,8,11-14,22,27H,4-7,9-10H2,(H,23,25).
What are the key properties of 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?
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 has a molecular weight of 1929.21 g/mol, XLogP of 15.69, 24 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162139527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).