4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one

C22H17NO3 — CID 54584087

IUPAC4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one
SMILESCOc1ccc(Nc2cc(-c3ccc4ccccc4c3)oc(=O)c2)cc1
InChIInChI=1S/C22H17NO3/c1-25-20-10-8-18(9-11-20)23-19-13-21(26-22(24)14-19)17-7-6-15-4-2-3-5-16(15)12-17/h2-14,23H,1H3
InChIKeyIBQGGQLEJJVDRI-UHFFFAOYSA-N
MW343.38 g/mol
LogP5.21
Rot. Bonds4

About 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one

4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one (PubChem CID 54584087) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one
PubChem CID54584087
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one
SMILESCOc1ccc(Nc2cc(-c3ccc4ccccc4c3)oc(=O)c2)cc1
InChIInChI=1S/C22H17NO3/c1-25-20-10-8-18(9-11-20)23-19-13-21(26-22(24)14-19)17-7-6-15-4-2-3-5-16(15)12-17/h2-14,23H,1H3
InChIKeyIBQGGQLEJJVDRI-UHFFFAOYSA-N
XLogP5.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one?
The IUPAC name of 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one (CID 54584087) is 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one.
What is the SMILES notation for 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one?
The canonical SMILES for 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one is COc1ccc(Nc2cc(-c3ccc4ccccc4c3)oc(=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one?
The InChIKey is IBQGGQLEJJVDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-25-20-10-8-18(9-11-20)23-19-13-21(26-22(24)14-19)17-7-6-15-4-2-3-5-16(15)12-17/h2-14,23H,1H3.
What are the key properties of 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one?
4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one has a molecular weight of 343.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-6-naphthalen-2-ylpyran-2-one is sourced from PubChem (CID 54584087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).