N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid

C58H53N5O8 — CID 159429483

IUPACN-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid
SMILESCc1cc(COc2ccc(CC(=O)N3Cc4ccccc4C3CC(=O)NO)cc2)c2ccccc2n1.Cc1cc(COc2ccc(CC(=O)N3Cc4ccccc4C3CC(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C29H27N3O4.C29H26N2O4/c1-19-14-22(24-7-4-5-9-26(24)30-19)18-36-23-12-10-20(11-13-23)15-29(34)32-17-21-6-2-3-8-25(21)27(32)16-28(33)31-35;1-19-14-22(24-7-4-5-9-26(24)30-19)18-35-23-12-10-20(11-13-23)15-28(32)31-17-21-6-2-3-8-25(21)27(31)16-29(33)34/h2-14,27,35H,15-18H2,1H3,(H,31,33);2-14,27H,15-18H2,1H3,(H,33,34)
InChIKeyLQUNRJBWZQOJAY-UHFFFAOYSA-N
MW948.09 g/mol
LogP9.87
Rot. Bonds14

About N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid

N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid (PubChem CID 159429483) has the molecular formula C58H53N5O8 and a molecular weight of 948.09 g/mol. Its IUPAC name is N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid.

Molecular Properties

Compound NameN-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid
PubChem CID159429483
Molecular FormulaC58H53N5O8
Molecular Weight948.09 g/mol
Exact Mass947.39
IUPAC NameN-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid
SMILESCc1cc(COc2ccc(CC(=O)N3Cc4ccccc4C3CC(=O)NO)cc2)c2ccccc2n1.Cc1cc(COc2ccc(CC(=O)N3Cc4ccccc4C3CC(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C29H27N3O4.C29H26N2O4/c1-19-14-22(24-7-4-5-9-26(24)30-19)18-36-23-12-10-20(11-13-23)15-29(34)32-17-21-6-2-3-8-25(21)27(32)16-28(33)31-35;1-19-14-22(24-7-4-5-9-26(24)30-19)18-35-23-12-10-20(11-13-23)15-28(32)31-17-21-6-2-3-8-25(21)27(31)16-29(33)34/h2-14,27,35H,15-18H2,1H3,(H,31,33);2-14,27H,15-18H2,1H3,(H,33,34)
InChIKeyLQUNRJBWZQOJAY-UHFFFAOYSA-N
XLogP9.87
TPSA171.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.09
LogP ≤ 59.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid?
The IUPAC name of N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid (CID 159429483) is N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid.
What is the SMILES notation for N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid?
The canonical SMILES for N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid is Cc1cc(COc2ccc(CC(=O)N3Cc4ccccc4C3CC(=O)NO)cc2)c2ccccc2n1.Cc1cc(COc2ccc(CC(=O)N3Cc4ccccc4C3CC(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid?
The InChIKey is LQUNRJBWZQOJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4.C29H26N2O4/c1-19-14-22(24-7-4-5-9-26(24)30-19)18-36-23-12-10-20(11-13-23)15-29(34)32-17-21-6-2-3-8-25(21)27(32)16-28(33)31-35;1-19-14-22(24-7-4-5-9-26(24)30-19)18-35-23-12-10-20(11-13-23)15-28(32)31-17-21-6-2-3-8-25(21)27(31)16-29(33)34/h2-14,27,35H,15-18H2,1H3,(H,31,33);2-14,27H,15-18H2,1H3,(H,33,34).
What are the key properties of N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid?
N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid has a molecular weight of 948.09 g/mol, XLogP of 9.87, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid is sourced from PubChem (CID 159429483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).