N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide

C26H20N2O4 — CID 162668087

IUPACN-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide
SMILESC#CCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C26H20N2O4/c1-2-16-28-22-11-7-6-10-21(22)23(19-8-4-3-5-9-19)24(26(28)30)32-17-18-12-14-20(15-13-18)25(29)27-31/h1,3-15,31H,16-17H2,(H,27,29)
InChIKeyASUSNDQLHGKBEM-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.00
Rot. Bonds6

About N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide

N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide (PubChem CID 162668087) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide
PubChem CID162668087
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC NameN-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide
SMILESC#CCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C26H20N2O4/c1-2-16-28-22-11-7-6-10-21(22)23(19-8-4-3-5-9-19)24(26(28)30)32-17-18-12-14-20(15-13-18)25(29)27-31/h1,3-15,31H,16-17H2,(H,27,29)
InChIKeyASUSNDQLHGKBEM-UHFFFAOYSA-N
XLogP4.00
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide?
The IUPAC name of N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide (CID 162668087) is N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide is C#CCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide?
The InChIKey is ASUSNDQLHGKBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-2-16-28-22-11-7-6-10-21(22)23(19-8-4-3-5-9-19)24(26(28)30)32-17-18-12-14-20(15-13-18)25(29)27-31/h1,3-15,31H,16-17H2,(H,27,29).
What are the key properties of N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide?
N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2-oxo-4-phenyl-1-prop-2-ynylquinolin-3-yl)oxymethyl]benzamide is sourced from PubChem (CID 162668087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).