4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one

C19H19NO6 — CID 71505127

IUPAC4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3c(OC)c(OC)c(OC)cc23)cc1N
InChIInChI=1S/C19H19NO6/c1-22-14-6-5-10(7-13(14)20)11-9-16(21)26-17-12(11)8-15(23-2)18(24-3)19(17)25-4/h5-9H,20H2,1-4H3
InChIKeyOGNRLDFIUZGMSW-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.08
Rot. Bonds5

About 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one

4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one (PubChem CID 71505127) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one.

Molecular Properties

Compound Name4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one
PubChem CID71505127
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one
SMILESCOc1ccc(-c2cc(=O)oc3c(OC)c(OC)c(OC)cc23)cc1N
InChIInChI=1S/C19H19NO6/c1-22-14-6-5-10(7-13(14)20)11-9-16(21)26-17-12(11)8-15(23-2)18(24-3)19(17)25-4/h5-9H,20H2,1-4H3
InChIKeyOGNRLDFIUZGMSW-UHFFFAOYSA-N
XLogP3.08
TPSA93.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one?
The IUPAC name of 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one (CID 71505127) is 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one.
What is the SMILES notation for 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one?
The canonical SMILES for 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one is COc1ccc(-c2cc(=O)oc3c(OC)c(OC)c(OC)cc23)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one?
The InChIKey is OGNRLDFIUZGMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-22-14-6-5-10(7-13(14)20)11-9-16(21)26-17-12(11)8-15(23-2)18(24-3)19(17)25-4/h5-9H,20H2,1-4H3.
What are the key properties of 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one?
4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one has a molecular weight of 357.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxyphenyl)-6,7,8-trimethoxychromen-2-one is sourced from PubChem (CID 71505127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).