methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate

C24H19N3O4 — CID 126409391

IUPACmethyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H19N3O4/c1-30-22(28)16-31-21-14-8-5-11-18(21)15-25-27-23(17-9-3-2-4-10-17)26-20-13-7-6-12-19(20)24(27)29/h2-15H,16H2,1H3
InChIKeyRQEKEEQRNSMZOR-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.50
Rot. Bonds6

About methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate

methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate (PubChem CID 126409391) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate
PubChem CID126409391
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Namemethyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H19N3O4/c1-30-22(28)16-31-21-14-8-5-11-18(21)15-25-27-23(17-9-3-2-4-10-17)26-20-13-7-6-12-19(20)24(27)29/h2-15H,16H2,1H3
InChIKeyRQEKEEQRNSMZOR-UHFFFAOYSA-N
XLogP3.50
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]propanoate
CID 126408432
2-[2-methoxy-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 126411132
3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405167
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
methyl 2-[4-chloro-2-[[2-(5-chloro-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126284924
methyl 2-[5-bromo-2-ethoxy-4-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126313466
methyl 2-[5-(dimethylamino)-2-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126300015
N-(4-fluorophenyl)-2-[2-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetamide
CID 126308194
2-[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetic acid
CID 126310485
methyl 2-[4-chloro-2-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126290109
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 137058327
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 methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate (CID 126409391) is methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate is COC(=O)COc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate?
The InChIKey is RQEKEEQRNSMZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-30-22(28)16-31-21-14-8-5-11-18(21)15-25-27-23(17-9-3-2-4-10-17)26-20-13-7-6-12-19(20)24(27)29/h2-15H,16H2,1H3.
What are the key properties of methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate?
methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate has a molecular weight of 413.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate is sourced from PubChem (CID 126409391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).