2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide

C20H20N4O4 — CID 2694037

IUPAC2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
SMILESCCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OCC(N)=O
InChIInChI=1S/C20H20N4O4/c1-3-27-18-10-14(8-9-17(18)28-12-19(21)25)11-22-24-13(2)23-16-7-5-4-6-15(16)20(24)26/h4-11H,3,12H2,1-2H3,(H2,21,25)
InChIKeyYXCNXUYJYIJCPN-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.85
Rot. Bonds7

About 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide

2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide (PubChem CID 2694037) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
PubChem CID2694037
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
SMILESCCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OCC(N)=O
InChIInChI=1S/C20H20N4O4/c1-3-27-18-10-14(8-9-17(18)28-12-19(21)25)11-22-24-13(2)23-16-7-5-4-6-15(16)20(24)26/h4-11H,3,12H2,1-2H3,(H2,21,25)
InChIKeyYXCNXUYJYIJCPN-UHFFFAOYSA-N
XLogP1.85
TPSA108.80 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 23350628
2-[2-ethoxy-4-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetamide
CID 126301002
[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126137147
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
ethyl 2-[2-ethoxy-4-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126285395
3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405385
2-[2-ethoxy-6-nitro-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 126405734
[2-ethoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] benzoate
CID 126138028
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 23350658
2-[4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126330198
2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-iodophenoxy]acetamide
CID 126287456
3-[[2-ethoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126406830

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
The IUPAC name of 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide (CID 2694037) is 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide is CCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
The InChIKey is YXCNXUYJYIJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-27-18-10-14(8-9-17(18)28-12-19(21)25)11-22-24-13(2)23-16-7-5-4-6-15(16)20(24)26/h4-11H,3,12H2,1-2H3,(H2,21,25).
What are the key properties of 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 2694037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).