8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

C18H14N2O3 — CID 767317

IUPAC8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12
InChIInChI=1S/C18H14N2O3/c1-11-5-4-8-20-10-14(19-17(11)20)13-9-12-6-3-7-15(22-2)16(12)23-18(13)21/h3-10H,1-2H3
InChIKeySHINIBCJMBRLJM-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.42
Rot. Bonds2

About 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 767317) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
PubChem CID767317
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12
InChIInChI=1S/C18H14N2O3/c1-11-5-4-8-20-10-14(19-17(11)20)13-9-12-6-3-7-15(22-2)16(12)23-18(13)21/h3-10H,1-2H3
InChIKeySHINIBCJMBRLJM-UHFFFAOYSA-N
XLogP3.42
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.42
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 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 767317) is 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is COc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The InChIKey is SHINIBCJMBRLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-5-4-8-20-10-14(19-17(11)20)13-9-12-6-3-7-15(22-2)16(12)23-18(13)21/h3-10H,1-2H3.
What are the key properties of 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 306.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 767317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).