4-(4-methylanilino)-6-phenylpyran-2-one

C18H15NO2 — CID 52918105

IUPAC4-(4-methylanilino)-6-phenylpyran-2-one
SMILESCc1ccc(Nc2cc(-c3ccccc3)oc(=O)c2)cc1
InChIInChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)19-16-11-17(21-18(20)12-16)14-5-3-2-4-6-14/h2-12,19H,1H3
InChIKeyJQUKCXSOXZVTTB-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.36
Rot. Bonds3

About 4-(4-methylanilino)-6-phenylpyran-2-one

4-(4-methylanilino)-6-phenylpyran-2-one (PubChem CID 52918105) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(4-methylanilino)-6-phenylpyran-2-one.

Molecular Properties

Compound Name4-(4-methylanilino)-6-phenylpyran-2-one
PubChem CID52918105
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-(4-methylanilino)-6-phenylpyran-2-one
SMILESCc1ccc(Nc2cc(-c3ccccc3)oc(=O)c2)cc1
InChIInChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)19-16-11-17(21-18(20)12-16)14-5-3-2-4-6-14/h2-12,19H,1H3
InChIKeyJQUKCXSOXZVTTB-UHFFFAOYSA-N
XLogP4.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Flindersine
CID 68230
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
4-(2-toluidino)-2H-chromen-2-one
CID 848620
4-(hydroxyamino)-2-oxo-N,6-diphenylpyran-3-carboxamide
CID 76314522
4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76318117
4-(hydroxyamino)-N,6-bis(4-methylphenyl)-2-oxopyran-3-carboxamide
CID 76318119
4-(hydroxyamino)-N-(3-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76325447
4-(hydroxyamino)-N-(2-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76328988
4-Methoxy-1H-quinolin-2-one
CID 600167
4-(2,4-dimethylanilino)-2H-chromen-2-one
CID 804471
3-amino-4-(4-toluidino)-2H-chromen-2-one
CID 3124631
4-(4-Methoxyanilino)-6-phenylpyran-2-one
CID 52918104

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylanilino)-6-phenylpyran-2-one?
The IUPAC name of 4-(4-methylanilino)-6-phenylpyran-2-one (CID 52918105) is 4-(4-methylanilino)-6-phenylpyran-2-one.
What is the SMILES notation for 4-(4-methylanilino)-6-phenylpyran-2-one?
The canonical SMILES for 4-(4-methylanilino)-6-phenylpyran-2-one is Cc1ccc(Nc2cc(-c3ccccc3)oc(=O)c2)cc1.
What is the InChIKey of 4-(4-methylanilino)-6-phenylpyran-2-one?
The InChIKey is JQUKCXSOXZVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)19-16-11-17(21-18(20)12-16)14-5-3-2-4-6-14/h2-12,19H,1H3.
What are the key properties of 4-(4-methylanilino)-6-phenylpyran-2-one?
4-(4-methylanilino)-6-phenylpyran-2-one has a molecular weight of 277.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylanilino)-6-phenylpyran-2-one is sourced from PubChem (CID 52918105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).