2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide

C24H20N4O4 — CID 126411132

IUPAC2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide
SMILESCOc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1OCC(N)=O
InChIInChI=1S/C24H20N4O4/c1-31-20-13-7-10-17(22(20)32-15-21(25)29)14-26-28-23(16-8-3-2-4-9-16)27-19-12-6-5-11-18(19)24(28)30/h2-14H,15H2,1H3,(H2,25,29)
InChIKeyYLGPBNCYQMENLC-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.82
Rot. Bonds7

About 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide

2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide (PubChem CID 126411132) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide
PubChem CID126411132
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide
SMILESCOc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1OCC(N)=O
InChIInChI=1S/C24H20N4O4/c1-31-20-13-7-10-17(22(20)32-15-21(25)29)14-26-28-23(16-8-3-2-4-9-16)27-19-12-6-5-11-18(19)24(28)30/h2-14H,15H2,1H3,(H2,25,29)
InChIKeyYLGPBNCYQMENLC-UHFFFAOYSA-N
XLogP2.82
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.82
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-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408378
methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126409391
2-[2-methoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]-6-prop-2-enylphenoxy]acetamide
CID 126411215
2-[2-methoxy-6-nitro-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 126409034
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
3-[[2-methoxy-6-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]methyl]benzoic acid
CID 126295563
methyl (2S)-2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]propanoate
CID 126408432
3-[(2,3-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303154
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[[5-bromo-3-methoxy-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405608
2-[2-chloro-6-methoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetic acid
CID 126410229
ethyl 2-[2-bromo-6-methoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126410101

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide (CID 126411132) is 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide is COc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
The InChIKey is YLGPBNCYQMENLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-31-20-13-7-10-17(22(20)32-15-21(25)29)14-26-28-23(16-8-3-2-4-9-16)27-19-12-6-5-11-18(19)24(28)30/h2-14H,15H2,1H3,(H2,25,29).
What are the key properties of 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide?
2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide has a molecular weight of 428.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126411132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).