[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate

C27H19N3O5 — CID 126137463

IUPAC[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccc2C=Nn2c(-c3ccco3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H19N3O5/c1-33-20-14-12-18(13-15-20)27(32)35-23-10-5-2-7-19(23)17-28-30-25(24-11-6-16-34-24)29-22-9-4-3-8-21(22)26(30)31/h2-17H,1H3
InChIKeyNKUDAXMZQNYAJM-UHFFFAOYSA-N
MW465.47 g/mol
LogP4.77
Rot. Bonds6

About [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate

[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate (PubChem CID 126137463) has the molecular formula C27H19N3O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate
PubChem CID126137463
Molecular FormulaC27H19N3O5
Molecular Weight465.47 g/mol
Exact Mass465.13
IUPAC Name[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccccc2C=Nn2c(-c3ccco3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C27H19N3O5/c1-33-20-14-12-18(13-15-20)27(32)35-23-10-5-2-7-19(23)17-28-30-25(24-11-6-16-34-24)29-22-9-4-3-8-21(22)26(30)31/h2-17H,1H3
InChIKeyNKUDAXMZQNYAJM-UHFFFAOYSA-N
XLogP4.77
TPSA95.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate
CID 126134859
[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 2,4-dichlorobenzoate
CID 126134467
[2,4-dibromo-6-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methylbenzoate
CID 126139041
[2-[(4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]phenyl] benzoate
CID 126154336
[2-[[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-nitrobenzoate
CID 126130782
[2-[[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126131532
[2-methoxy-4-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate
CID 6908774
3-[(E)-anthracen-9-ylmethylideneamino]-2-(furan-2-yl)quinazolin-4-one
CID 53306078
[4-chloro-2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] 4-chlorobenzoate
CID 126412173
[4-bromo-2-[[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-bromobenzoate
CID 126151305
2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one
CID 126293380
2-(1-benzofuran-2-yl)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 137089940

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate (CID 126137463) is [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccccc2C=Nn2c(-c3ccco3)nc3ccccc3c2=O)cc1.
What is the InChIKey of [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate?
The InChIKey is NKUDAXMZQNYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O5/c1-33-20-14-12-18(13-15-20)27(32)35-23-10-5-2-7-19(23)17-28-30-25(24-11-6-16-34-24)29-22-9-4-3-8-21(22)26(30)31/h2-17H,1H3.
What are the key properties of [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate?
[2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate has a molecular weight of 465.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(furan-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 126137463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).