3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one

C28H19N3O6 — CID 139237748

IUPAC3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCOc1c2occc2c(OC)c2c(=O)c(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)coc12
InChIInChI=1S/C28H19N3O6/c1-34-23-19-12-13-36-24(19)26(35-2)25-21(23)22(32)17(15-37-25)14-29-31-27(16-8-4-3-5-9-16)30-20-11-7-6-10-18(20)28(31)33/h3-15H,1-2H3/b29-14+
InChIKeyTUQDQZRSXJUGLY-IPPBACCNSA-N
MW493.48 g/mol
LogP4.82
Rot. Bonds5

About 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one

3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 139237748) has the molecular formula C28H19N3O6 and a molecular weight of 493.48 g/mol. Its IUPAC name is 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID139237748
Molecular FormulaC28H19N3O6
Molecular Weight493.48 g/mol
Exact Mass493.13
IUPAC Name3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCOc1c2occc2c(OC)c2c(=O)c(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)coc12
InChIInChI=1S/C28H19N3O6/c1-34-23-19-12-13-36-24(19)26(35-2)25-21(23)22(32)17(15-37-25)14-29-31-27(16-8-4-3-5-9-16)30-20-11-7-6-10-18(20)28(31)33/h3-15H,1-2H3/b29-14+
InChIKeyTUQDQZRSXJUGLY-IPPBACCNSA-N
XLogP4.82
TPSA109.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one with MolForge

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Related Compounds

3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405167
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 137058327
[2-[[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126131532
methyl (2S)-2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]propanoate
CID 126408432
3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
CID 4611421
[2-methoxy-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] furan-2-carboxylate
CID 126152743
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5126923
[4-bromo-2-[[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] furan-2-carboxylate
CID 126151909

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one (CID 139237748) is 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one is COc1c2occc2c(OC)c2c(=O)c(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)coc12.
What is the InChIKey of 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is TUQDQZRSXJUGLY-IPPBACCNSA-N. The full InChI is InChI=1S/C28H19N3O6/c1-34-23-19-12-13-36-24(19)26(35-2)25-21(23)22(32)17(15-37-25)14-29-31-27(16-8-4-3-5-9-16)30-20-11-7-6-10-18(20)28(31)33/h3-15H,1-2H3/b29-14+.
What are the key properties of 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one?
3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 493.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 139237748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).