N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride

C90H103ClN14O18 — CID 157434586

About N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride

N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride (PubChem CID 157434586) has the molecular formula C90H103ClN14O18 and a molecular weight of 1704.35 g/mol. Its IUPAC name is N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride
• PubChem CID: 157434586
• Molecular Formula: C90H103ClN14O18
• Molecular Weight: 1704.35 g/mol
• Exact Mass: 1702.73
• IUPAC Name: N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride
• SMILES: CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCCN5CCCCC5)cc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NOC5CCCCO5)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)O)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O.Cl
• InChI: InChI=1S/C33H39N5O7.C29H33N5O5.C28H30N4O6.ClH/c1-35-32(40)30-29-25-20-24(43-19-15-36-13-17-42-18-14-36)9-10-26(25)38(27(29)11-12-37(30)33(35)41)21-22-5-7-23(8-6-22)31(39)34-45-28-4-2-3-16-44-28;1-31-28(36)26-25-22-17-21(39-16-15-32-12-3-2-4-13-32)9-10-23(22)34(24(25)11-14-33(26)29(31)37)18-19-5-7-20(8-6-19)27(35)30-38;1-29-26(33)25-24-21-16-20(38-15-12-30-10-13-37-14-11-30)6-7-22(21)32(23(24)8-9-31(25)28(29)36)17-18-2-4-19(5-3-18)27(34)35;/h5-10,20,28,30H,2-4,11-19,21H2,1H3,(H,34,39);5-10,17,26,38H,2-4,11-16,18H2,1H3,(H,30,35);2-7,16,25H,8-15,17H2,1H3,(H,34,35);1H
• InChIKey: ISCVKXVTGYSYMI-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 326.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.35
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride?

The IUPAC name of N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride (CID 157434586) is N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride.

What is the SMILES notation for N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride?

The canonical SMILES for N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride is CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCCN5CCCCC5)cc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NOC5CCCCO5)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O.CN1C(=O)C2c3c(n(Cc4ccc(C(=O)O)cc4)c4ccc(OCCN5CCOCC5)cc34)CCN2C1=O.Cl.

What is the InChIKey of N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride?

The InChIKey is ISCVKXVTGYSYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O7.C29H33N5O5.C28H30N4O6.ClH/c1-35-32(40)30-29-25-20-24(43-19-15-36-13-17-42-18-14-36)9-10-26(25)38(27(29)11-12-37(30)33(35)41)21-22-5-7-23(8-6-22)31(39)34-45-28-4-2-3-16-44-28;1-31-28(36)26-25-22-17-21(39-16-15-32-12-3-2-4-13-32)9-10-23(22)34(24(25)11-14-33(26)29(31)37)18-19-5-7-20(8-6-19)27(35)30-38;1-29-26(33)25-24-21-16-20(38-15-12-30-10-13-37-14-11-30)6-7-22(21)32(23(24)8-9-31(25)28(29)36)17-18-2-4-19(5-3-18)27(34)35;/h5-10,20,28,30H,2-4,11-19,21H2,1H3,(H,34,39);5-10,17,26,38H,2-4,11-16,18H2,1H3,(H,30,35);2-7,16,25H,8-15,17H2,1H3,(H,34,35);1H.

What are the key properties of N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride?

N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride has a molecular weight of 1704.35 g/mol, XLogP of 9.26, 23 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[[4-methyl-3,5-dioxo-14-(2-piperidin-1-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoic acid;4-[[4-methyl-14-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]-N-(oxan-2-yloxy)benzamide;hydrochloride is sourced from PubChem (CID 157434586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).