N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide

C23H19N3O4 — CID 162669488

IUPACN-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide
SMILESCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2cccnc2)c2ccccc21
InChIInChI=1S/C23H19N3O4/c1-26-19-7-3-2-6-18(19)20(17-5-4-12-24-13-17)21(23(26)28)30-14-15-8-10-16(11-9-15)22(27)25-29/h2-13,29H,14H2,1H3,(H,25,27)
InChIKeyOPLRPCAWCQQUBY-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.30
Rot. Bonds5

About N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide

N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide (PubChem CID 162669488) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide
PubChem CID162669488
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide
SMILESCn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2cccnc2)c2ccccc21
InChIInChI=1S/C23H19N3O4/c1-26-19-7-3-2-6-18(19)20(17-5-4-12-24-13-17)21(23(26)28)30-14-15-8-10-16(11-9-15)22(27)25-29/h2-13,29H,14H2,1H3,(H,25,27)
InChIKeyOPLRPCAWCQQUBY-UHFFFAOYSA-N
XLogP3.30
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide (CID 162669488) is N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide is Cn1c(=O)c(OCc2ccc(C(=O)NO)cc2)c(-c2cccnc2)c2ccccc21.
What is the InChIKey of N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide?
The InChIKey is OPLRPCAWCQQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-26-19-7-3-2-6-18(19)20(17-5-4-12-24-13-17)21(23(26)28)30-14-15-8-10-16(11-9-15)22(27)25-29/h2-13,29H,14H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide?
N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide has a molecular weight of 401.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1-methyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]benzamide is sourced from PubChem (CID 162669488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).