5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one

C20H17NO4 — CID 25141220

IUPAC5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one
SMILESCOc1cc(OC)c2c(-c3ccc4c(ccn4C)c3)cc(=O)oc2c1
InChIInChI=1S/C20H17NO4/c1-21-7-6-13-8-12(4-5-16(13)21)15-11-19(22)25-18-10-14(23-2)9-17(24-3)20(15)18/h4-11H,1-3H3
InChIKeyMIGVSQLJPHTGFQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.97
Rot. Bonds3

About 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one

5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one (PubChem CID 25141220) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one
PubChem CID25141220
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one
SMILESCOc1cc(OC)c2c(-c3ccc4c(ccn4C)c3)cc(=O)oc2c1
InChIInChI=1S/C20H17NO4/c1-21-7-6-13-8-12(4-5-16(13)21)15-11-19(22)25-18-10-14(23-2)9-17(24-3)20(15)18/h4-11H,1-3H3
InChIKeyMIGVSQLJPHTGFQ-UHFFFAOYSA-N
XLogP3.97
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one?
The IUPAC name of 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one (CID 25141220) is 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one.
What is the SMILES notation for 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one?
The canonical SMILES for 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one is COc1cc(OC)c2c(-c3ccc4c(ccn4C)c3)cc(=O)oc2c1.
What is the InChIKey of 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one?
The InChIKey is MIGVSQLJPHTGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-21-7-6-13-8-12(4-5-16(13)21)15-11-19(22)25-18-10-14(23-2)9-17(24-3)20(15)18/h4-11H,1-3H3.
What are the key properties of 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one?
5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-(1-methylindol-5-yl)chromen-2-one is sourced from PubChem (CID 25141220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).