N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide

C27H29N3O4 — CID 162371716

IUPACN-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide
SMILESCc1ccccc1Cc1nc2c(cc(OCCCCCCC(=O)NO)c3ccccc32)[nH]c1=O
InChIInChI=1S/C27H29N3O4/c1-18-10-5-6-11-19(18)16-23-27(32)29-22-17-24(20-12-7-8-13-21(20)26(22)28-23)34-15-9-3-2-4-14-25(31)30-33/h5-8,10-13,17,33H,2-4,9,14-16H2,1H3,(H,29,32)(H,30,31)
InChIKeyUFZFPDQHGAYZBQ-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.81
Rot. Bonds10

About N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide

N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide (PubChem CID 162371716) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide
PubChem CID162371716
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide
SMILESCc1ccccc1Cc1nc2c(cc(OCCCCCCC(=O)NO)c3ccccc32)[nH]c1=O
InChIInChI=1S/C27H29N3O4/c1-18-10-5-6-11-19(18)16-23-27(32)29-22-17-24(20-12-7-8-13-21(20)26(22)28-23)34-15-9-3-2-4-14-25(31)30-33/h5-8,10-13,17,33H,2-4,9,14-16H2,1H3,(H,29,32)(H,30,31)
InChIKeyUFZFPDQHGAYZBQ-UHFFFAOYSA-N
XLogP4.81
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide?
The IUPAC name of N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide (CID 162371716) is N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide.
What is the SMILES notation for N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide?
The canonical SMILES for N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide is Cc1ccccc1Cc1nc2c(cc(OCCCCCCC(=O)NO)c3ccccc32)[nH]c1=O.
What is the InChIKey of N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide?
The InChIKey is UFZFPDQHGAYZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-18-10-5-6-11-19(18)16-23-27(32)29-22-17-24(20-12-7-8-13-21(20)26(22)28-23)34-15-9-3-2-4-14-25(31)30-33/h5-8,10-13,17,33H,2-4,9,14-16H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide?
N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide has a molecular weight of 459.55 g/mol, XLogP of 4.81, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[[2-[(2-methylphenyl)methyl]-3-oxo-4H-benzo[f]quinoxalin-6-yl]oxy]heptanamide is sourced from PubChem (CID 162371716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).