3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one

C19H17NO5 — CID 71419783

IUPAC3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
SMILESCOc1cc(/C=N/c2cc3ccccc3oc2=O)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-22-16-8-12(9-17(23-2)18(16)24-3)11-20-14-10-13-6-4-5-7-15(13)25-19(14)21/h4-11H,1-3H3/b20-11+
InChIKeyZAWRYGQEGVNMKW-RGVLZGJSSA-N
MW339.35 g/mol
LogP3.57
Rot. Bonds5

About 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one

3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one (PubChem CID 71419783) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one.

Molecular Properties

Compound Name3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
PubChem CID71419783
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
SMILESCOc1cc(/C=N/c2cc3ccccc3oc2=O)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-22-16-8-12(9-17(23-2)18(16)24-3)11-20-14-10-13-6-4-5-7-15(13)25-19(14)21/h4-11H,1-3H3/b20-11+
InChIKeyZAWRYGQEGVNMKW-RGVLZGJSSA-N
XLogP3.57
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methylideneamino]chromen-2-one
CID 15930944
3-[(4-fluorophenyl)methylideneamino]chromen-2-one
CID 15930943
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
3-[(2-chlorophenyl)methylideneamino]chromen-2-one
CID 15930947
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
CID 2751679
N-(2,5-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 2358363
N-(2,4,5-trichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 5165015
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 3833015
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
4-(1-benzofuran-2-yl)-N-prop-2-enyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23906383
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one?
The IUPAC name of 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one (CID 71419783) is 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one.
What is the SMILES notation for 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one?
The canonical SMILES for 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one is COc1cc(/C=N/c2cc3ccccc3oc2=O)cc(OC)c1OC.
What is the InChIKey of 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one?
The InChIKey is ZAWRYGQEGVNMKW-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17NO5/c1-22-16-8-12(9-17(23-2)18(16)24-3)11-20-14-10-13-6-4-5-7-15(13)25-19(14)21/h4-11H,1-3H3/b20-11+.
What are the key properties of 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one?
3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one has a molecular weight of 339.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one is sourced from PubChem (CID 71419783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).