7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one

C18H17NO3 — CID 5413051

IUPAC7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O
InChIInChI=1S/C18H17NO3/c1-3-6-12-9-13-16(10-15(12)20)22-11(2)17(18(13)21)14-7-4-5-8-19-14/h4-5,7-10,20H,3,6H2,1-2H3
InChIKeyFJAZHJWLZLBNNC-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.82
Rot. Bonds3

About 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one

7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one (PubChem CID 5413051) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one
PubChem CID5413051
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O
InChIInChI=1S/C18H17NO3/c1-3-6-12-9-13-16(10-15(12)20)22-11(2)17(18(13)21)14-7-4-5-8-19-14/h4-5,7-10,20H,3,6H2,1-2H3
InChIKeyFJAZHJWLZLBNNC-UHFFFAOYSA-N
XLogP3.82
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one (CID 5413051) is 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one is CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1O.
What is the InChIKey of 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one?
The InChIKey is FJAZHJWLZLBNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-6-12-9-13-16(10-15(12)20)22-11(2)17(18(13)21)14-7-4-5-8-19-14/h4-5,7-10,20H,3,6H2,1-2H3.
What are the key properties of 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one?
7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-6-propyl-3-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 5413051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).