7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one

C18H17NO3 — CID 740743

IUPAC7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC
InChIInChI=1S/C18H17NO3/c1-3-6-12-9-13-17(10-16(12)21-2)22-11-14(18(13)20)15-7-4-5-8-19-15/h4-5,7-11H,3,6H2,1-2H3
InChIKeyVBMCRFUUXVUAPB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.82
Rot. Bonds4

About 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one

7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one (PubChem CID 740743) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one
PubChem CID740743
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC
InChIInChI=1S/C18H17NO3/c1-3-6-12-9-13-17(10-16(12)21-2)22-11-14(18(13)20)15-7-4-5-8-19-15/h4-5,7-11H,3,6H2,1-2H3
InChIKeyVBMCRFUUXVUAPB-UHFFFAOYSA-N
XLogP3.82
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10026826
7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10069029
7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 11153057
7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
7-methoxy-3-(4-methylphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11176755
3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridylmethyl)thio]4H-1-benzopyran-4-one
CID 11179136
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
Dilmefone
CID 6445006
1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
CID 49869549
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one?
The IUPAC name of 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one (CID 740743) is 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one?
The canonical SMILES for 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one is CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC.
What is the InChIKey of 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one?
The InChIKey is VBMCRFUUXVUAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-6-12-9-13-17(10-16(12)21-2)22-11-14(18(13)20)15-7-4-5-8-19-15/h4-5,7-11H,3,6H2,1-2H3.
What are the key properties of 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one?
7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-propyl-3-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 740743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).