4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide

C34H34N4O4 — CID 162648356

IUPAC4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide
SMILESCCN(CC)Cc1ccc(Cn2c(=O)c(OCc3ccc(C(=O)NO)cc3)c(-c3cccnc3)c3ccccc32)cc1
InChIInChI=1S/C34H34N4O4/c1-3-37(4-2)21-24-11-13-25(14-12-24)22-38-30-10-6-5-9-29(30)31(28-8-7-19-35-20-28)32(34(38)40)42-23-26-15-17-27(18-16-26)33(39)36-41/h5-20,41H,3-4,21-23H2,1-2H3,(H,36,39)
InChIKeyJZWQUCQSANRYGU-UHFFFAOYSA-N
MW562.67 g/mol
LogP5.65
Rot. Bonds11

About 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide

4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide (PubChem CID 162648356) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide
PubChem CID162648356
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide
SMILESCCN(CC)Cc1ccc(Cn2c(=O)c(OCc3ccc(C(=O)NO)cc3)c(-c3cccnc3)c3ccccc32)cc1
InChIInChI=1S/C34H34N4O4/c1-3-37(4-2)21-24-11-13-25(14-12-24)22-38-30-10-6-5-9-29(30)31(28-8-7-19-35-20-28)32(34(38)40)42-23-26-15-17-27(18-16-26)33(39)36-41/h5-20,41H,3-4,21-23H2,1-2H3,(H,36,39)
InChIKeyJZWQUCQSANRYGU-UHFFFAOYSA-N
XLogP5.65
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide (CID 162648356) is 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide is CCN(CC)Cc1ccc(Cn2c(=O)c(OCc3ccc(C(=O)NO)cc3)c(-c3cccnc3)c3ccccc32)cc1.
What is the InChIKey of 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide?
The InChIKey is JZWQUCQSANRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-3-37(4-2)21-24-11-13-25(14-12-24)22-38-30-10-6-5-9-29(30)31(28-8-7-19-35-20-28)32(34(38)40)42-23-26-15-17-27(18-16-26)33(39)36-41/h5-20,41H,3-4,21-23H2,1-2H3,(H,36,39).
What are the key properties of 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide?
4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide has a molecular weight of 562.67 g/mol, XLogP of 5.65, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide is sourced from PubChem (CID 162648356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).