3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide

C138H123N19O21 — CID 158557655

IUPAC3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide
SMILESCOc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.Cn1cc(-c2cccc(Cn3ccc4ccc(C(=O)NO)cc4c3=O)c2)cn1.Nc1cccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(CO)c1ccc2ncn(CCc3cccc(-c4ccn[nH]4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCc3cccc(C4CCNCC4)c3)c(=O)c2c1.O=C(O)c1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cc1
InChIInChI=1S/C25H20N2O5.C24H21N3O4.C24H21N3O3.C23H25N3O3.2C21H18N4O3/c28-14-23(29)20-8-9-22-21(13-20)24(30)27(15-26-22)11-10-16-2-1-3-19(12-16)17-4-6-18(7-5-17)25(31)32;1-31-23-19(6-3-10-25-23)17-5-2-4-16(12-17)9-11-27-15-26-21-8-7-18(22(29)14-28)13-20(21)24(27)30;25-20-6-2-5-18(12-20)17-4-1-3-16(11-17)9-10-27-15-26-22-8-7-19(23(29)14-28)13-21(22)24(27)30;27-22(25-29)20-5-4-18-9-13-26(23(28)21(18)15-20)12-8-16-2-1-3-19(14-16)17-6-10-24-11-7-17;1-24-13-18(11-22-24)16-4-2-3-14(9-16)12-25-8-7-15-5-6-17(20(26)23-28)10-19(15)21(25)27;26-12-20(27)16-4-5-19-17(11-16)21(28)25(13-22-19)9-7-14-2-1-3-15(10-14)18-6-8-23-24-18/h1-9,12-13,15,28H,10-11,14H2,(H,31,32);2-8,10,12-13,15,28H,9,11,14H2,1H3;1-8,11-13,15,28H,9-10,14,25H2;1-5,9,13-15,17,24,29H,6-8,10-12H2,(H,25,27);2-11,13,28H,12H2,1H3,(H,23,26);1-6,8,10-11,13,26H,7,9,12H2,(H,23,24)
InChIKeyHQMJCUKTOCIKPQ-UHFFFAOYSA-N
MW2383.61 g/mol
LogP16.73
Rot. Bonds35

About 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide

3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide (PubChem CID 158557655) has the molecular formula C138H123N19O21 and a molecular weight of 2383.61 g/mol. Its IUPAC name is 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide.

Molecular Properties

Compound Name3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide
PubChem CID158557655
Molecular FormulaC138H123N19O21
Molecular Weight2383.61 g/mol
Exact Mass2381.91
IUPAC Name3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide
SMILESCOc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.Cn1cc(-c2cccc(Cn3ccc4ccc(C(=O)NO)cc4c3=O)c2)cn1.Nc1cccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(CO)c1ccc2ncn(CCc3cccc(-c4ccn[nH]4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCc3cccc(C4CCNCC4)c3)c(=O)c2c1.O=C(O)c1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cc1
InChIInChI=1S/C25H20N2O5.C24H21N3O4.C24H21N3O3.C23H25N3O3.2C21H18N4O3/c28-14-23(29)20-8-9-22-21(13-20)24(30)27(15-26-22)11-10-16-2-1-3-19(12-16)17-4-6-18(7-5-17)25(31)32;1-31-23-19(6-3-10-25-23)17-5-2-4-16(12-17)9-11-27-15-26-21-8-7-18(22(29)14-28)13-20(21)24(27)30;25-20-6-2-5-18(12-20)17-4-1-3-16(11-17)9-10-27-15-26-22-8-7-19(23(29)14-28)13-21(22)24(27)30;27-22(25-29)20-5-4-18-9-13-26(23(28)21(18)15-20)12-8-16-2-1-3-19(14-16)17-6-10-24-11-7-17;1-24-13-18(11-22-24)16-4-2-3-14(9-16)12-25-8-7-15-5-6-17(20(26)23-28)10-19(15)21(25)27;26-12-20(27)16-4-5-19-17(11-16)21(28)25(13-22-19)9-7-14-2-1-3-15(10-14)18-6-8-23-24-18/h1-9,12-13,15,28H,10-11,14H2,(H,31,32);2-8,10,12-13,15,28H,9,11,14H2,1H3;1-8,11-13,15,28H,9-10,14,25H2;1-5,9,13-15,17,24,29H,6-8,10-12H2,(H,25,27);2-11,13,28H,12H2,1H3,(H,23,26);1-6,8,10-11,13,26H,7,9,12H2,(H,23,24)
InChIKeyHQMJCUKTOCIKPQ-UHFFFAOYSA-N
XLogP16.73
TPSA575.39 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002383.61
LogP ≤ 516.73
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide?
The IUPAC name of 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide (CID 158557655) is 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide.
What is the SMILES notation for 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide?
The canonical SMILES for 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide is COc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.Cn1cc(-c2cccc(Cn3ccc4ccc(C(=O)NO)cc4c3=O)c2)cn1.Nc1cccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)c1.O=C(CO)c1ccc2ncn(CCc3cccc(-c4ccn[nH]4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCc3cccc(C4CCNCC4)c3)c(=O)c2c1.O=C(O)c1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cc1.
What is the InChIKey of 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide?
The InChIKey is HQMJCUKTOCIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5.C24H21N3O4.C24H21N3O3.C23H25N3O3.2C21H18N4O3/c28-14-23(29)20-8-9-22-21(13-20)24(30)27(15-26-22)11-10-16-2-1-3-19(12-16)17-4-6-18(7-5-17)25(31)32;1-31-23-19(6-3-10-25-23)17-5-2-4-16(12-17)9-11-27-15-26-21-8-7-18(22(29)14-28)13-20(21)24(27)30;25-20-6-2-5-18(12-20)17-4-1-3-16(11-17)9-10-27-15-26-22-8-7-19(23(29)14-28)13-21(22)24(27)30;27-22(25-29)20-5-4-18-9-13-26(23(28)21(18)15-20)12-8-16-2-1-3-19(14-16)17-6-10-24-11-7-17;1-24-13-18(11-22-24)16-4-2-3-14(9-16)12-25-8-7-15-5-6-17(20(26)23-28)10-19(15)21(25)27;26-12-20(27)16-4-5-19-17(11-16)21(28)25(13-22-19)9-7-14-2-1-3-15(10-14)18-6-8-23-24-18/h1-9,12-13,15,28H,10-11,14H2,(H,31,32);2-8,10,12-13,15,28H,9,11,14H2,1H3;1-8,11-13,15,28H,9-10,14,25H2;1-5,9,13-15,17,24,29H,6-8,10-12H2,(H,25,27);2-11,13,28H,12H2,1H3,(H,23,26);1-6,8,10-11,13,26H,7,9,12H2,(H,23,24).
What are the key properties of 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide?
3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide has a molecular weight of 2383.61 g/mol, XLogP of 16.73, 35 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-aminophenyl)phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(2-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;4-[3-[2-[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]ethyl]phenyl]benzoic acid;6-(2-hydroxyacetyl)-3-[2-[3-(1H-pyrazol-5-yl)phenyl]ethyl]quinazolin-4-one;N-hydroxy-2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-1-oxo-2-[2-(3-piperidin-4-ylphenyl)ethyl]isoquinoline-7-carboxamide is sourced from PubChem (CID 158557655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).