N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide

C20H20N4O4 — CID 3884614

IUPACN-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide
SMILESCC(C)=NOCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-14(2)23-28-13-19(25)22-24-18(12-27-15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)20(24)26/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyIVRDRSNUZVAUSJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.46
Rot. Bonds7

About N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide

N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide (PubChem CID 3884614) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide
PubChem CID3884614
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide
SMILESCC(C)=NOCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-14(2)23-28-13-19(25)22-24-18(12-27-15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)20(24)26/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyIVRDRSNUZVAUSJ-UHFFFAOYSA-N
XLogP2.46
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide?
The IUPAC name of N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide (CID 3884614) is N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide.
What is the SMILES notation for N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide?
The canonical SMILES for N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide is CC(C)=NOCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide?
The InChIKey is IVRDRSNUZVAUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-14(2)23-28-13-19(25)22-24-18(12-27-15-8-4-3-5-9-15)21-17-11-7-6-10-16(17)20(24)26/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide?
N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide has a molecular weight of 380.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-2-(propan-2-ylideneamino)oxyacetamide is sourced from PubChem (CID 3884614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).