5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one

C22H17NO2 — CID 71549486

IUPAC5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccncc1
InChIInChI=1S/C22H17NO2/c1-14-12-19-22(15(2)21(14)17-8-10-23-11-9-17)18(13-20(24)25-19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyPKPPOHCJCZCXSG-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.14
Rot. Bonds2

About 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one

5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one (PubChem CID 71549486) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
PubChem CID71549486
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccncc1
InChIInChI=1S/C22H17NO2/c1-14-12-19-22(15(2)21(14)17-8-10-23-11-9-17)18(13-20(24)25-19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyPKPPOHCJCZCXSG-UHFFFAOYSA-N
XLogP5.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
CID 6540169
N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
CID 6540216
2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
CID 72545234
6-[4-[ethyl(hexyl)amino]phenyl]-5,7-dimethyl-4-phenylchromen-2-one
CID 71548783
5-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)-2-methoxybenzaldehyde
CID 6540217
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
CID 707839
4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
CID 102583822
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
CID 14916297
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
4-(3-aminophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]chromen-2-one;dihydrochloride
CID 90665119
5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ium-1-ylmethyl)chromen-2-one
CID 6920682
5-tert-butyl-4-phenylchromen-2-one
CID 102302945

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one?
The IUPAC name of 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one (CID 71549486) is 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one.
What is the SMILES notation for 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one?
The canonical SMILES for 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccncc1.
What is the InChIKey of 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one?
The InChIKey is PKPPOHCJCZCXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-12-19-22(15(2)21(14)17-8-10-23-11-9-17)18(13-20(24)25-19)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one?
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one has a molecular weight of 327.38 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one is sourced from PubChem (CID 71549486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).