[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate

C19H19NO6 — CID 5441594

IUPAC[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)O/N=C2/CCOc3cc(OC)ccc32)c1
InChIInChI=1S/C19H19NO6/c1-22-13-4-5-16-17(6-7-25-18(16)11-13)20-26-19(21)12-8-14(23-2)10-15(9-12)24-3/h4-5,8-11H,6-7H2,1-3H3/b20-17-
InChIKeyVCBWEQDIVFYUDA-JZJYNLBNSA-N
MW357.36 g/mol
LogP3.06
Rot. Bonds5

About [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate

[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate (PubChem CID 5441594) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate
PubChem CID5441594
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)O/N=C2/CCOc3cc(OC)ccc32)c1
InChIInChI=1S/C19H19NO6/c1-22-13-4-5-16-17(6-7-25-18(16)11-13)20-26-19(21)12-8-14(23-2)10-15(9-12)24-3/h4-5,8-11H,6-7H2,1-3H3/b20-17-
InChIKeyVCBWEQDIVFYUDA-JZJYNLBNSA-N
XLogP3.06
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate?
The IUPAC name of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate (CID 5441594) is [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate.
What is the SMILES notation for [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate?
The canonical SMILES for [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)O/N=C2/CCOc3cc(OC)ccc32)c1.
What is the InChIKey of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate?
The InChIKey is VCBWEQDIVFYUDA-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-13-4-5-16-17(6-7-25-18(16)11-13)20-26-19(21)12-8-14(23-2)10-15(9-12)24-3/h4-5,8-11H,6-7H2,1-3H3/b20-17-.
What are the key properties of [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate?
[(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate has a molecular weight of 357.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(7-methoxy-2,3-dihydrochromen-4-ylidene)amino] 3,5-dimethoxybenzoate is sourced from PubChem (CID 5441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).