2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one

C25H23N3O5 — CID 6859761

IUPAC2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1ccc(/C=N/n2c(-c3ccc(OC)c(OC)c3)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C25H23N3O5/c1-30-20-11-9-16(13-22(20)32-3)15-26-28-24(17-10-12-21(31-2)23(14-17)33-4)27-19-8-6-5-7-18(19)25(28)29/h5-15H,1-4H3/b26-15+
InChIKeyHSKFFLRWLSKVGL-CVKSISIWSA-N
MW445.48 g/mol
LogP3.98
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one

2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one (PubChem CID 6859761) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one
PubChem CID6859761
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one
SMILESCOc1ccc(/C=N/n2c(-c3ccc(OC)c(OC)c3)nc3ccccc3c2=O)cc1OC
InChIInChI=1S/C25H23N3O5/c1-30-20-11-9-16(13-22(20)32-3)15-26-28-24(17-10-12-21(31-2)23(14-17)33-4)27-19-8-6-5-7-18(19)25(28)29/h5-15H,1-4H3/b26-15+
InChIKeyHSKFFLRWLSKVGL-CVKSISIWSA-N
XLogP3.98
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-one
CID 137283573
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126299024
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(3,4-dimethylphenyl)methylideneamino]quinazolin-4-one
CID 73316585
[2-methoxy-4-[[2-(4-methylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] furan-2-carboxylate
CID 1281060
[2-methoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] furan-2-carboxylate
CID 126152743
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
2-[2-methoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126408467
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098
3-[[4-[(2,4-dibromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126407145
3-[[3,5-dimethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408537

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one (CID 6859761) is 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one is COc1ccc(/C=N/n2c(-c3ccc(OC)c(OC)c3)nc3ccccc3c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is HSKFFLRWLSKVGL-CVKSISIWSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-20-11-9-16(13-22(20)32-3)15-26-28-24(17-10-12-21(31-2)23(14-17)33-4)27-19-8-6-5-7-18(19)25(28)29/h5-15H,1-4H3/b26-15+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one?
2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 445.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6859761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).