6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one

C22H22ClNO2 — CID 587531

IUPAC6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one
SMILESCCN(CC)c1c(C)c(-c2ccc(Cl)cc2)oc(=O)c1-c1ccccc1
InChIInChI=1S/C22H22ClNO2/c1-4-24(5-2)20-15(3)21(17-11-13-18(23)14-12-17)26-22(25)19(20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3
InChIKeyWZNPDLKMSKDKMH-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.78
Rot. Bonds5

About 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one

6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one (PubChem CID 587531) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one
PubChem CID587531
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one
SMILESCCN(CC)c1c(C)c(-c2ccc(Cl)cc2)oc(=O)c1-c1ccccc1
InChIInChI=1S/C22H22ClNO2/c1-4-24(5-2)20-15(3)21(17-11-13-18(23)14-12-17)26-22(25)19(20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3
InChIKeyWZNPDLKMSKDKMH-UHFFFAOYSA-N
XLogP5.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805936
(1,2-Dimethyl-6-oxopyridin-4-yl) 4-chlorobenzoate
CID 824940
Benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate
CID 42854551
Benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 118694453
6-(4-Chlorophenyl)-4-piperidin-1-ylpyran-2-one
CID 85566267
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
6-(4-Chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11045270
[(Z)-3-(3-chlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl] benzoate
CID 164685313
[(Z)-3-(4-chlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl] benzoate
CID 164685681
4-(Diethylamino)-5-methyl-3,6-diphenyl-2H-pyran-2-one
CID 325672
6-(4-Chlorophenyl)-4-(4-methylpiperidin-1-yl)-2-oxopyran-3-carbonitrile
CID 10616298
6-(4-Chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one
CID 24976347

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one (CID 587531) is 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one is CCN(CC)c1c(C)c(-c2ccc(Cl)cc2)oc(=O)c1-c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one?
The InChIKey is WZNPDLKMSKDKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-4-24(5-2)20-15(3)21(17-11-13-18(23)14-12-17)26-22(25)19(20)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one?
6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one has a molecular weight of 367.88 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(diethylamino)-5-methyl-3-phenylpyran-2-one is sourced from PubChem (CID 587531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).