2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one

C23H19NO4 — CID 162643336

IUPAC2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)oc(C(Nc2ccccc2)c2ccc3ccccc3c2)c1O
InChIInChI=1S/C23H19NO4/c25-14-19-13-20(26)22(27)23(28-19)21(24-18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)12-17/h1-13,21,24-25,27H,14H2
InChIKeyPPOGXDZLBVKRJB-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.19
Rot. Bonds5

About 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one

2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one (PubChem CID 162643336) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
PubChem CID162643336
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)oc(C(Nc2ccccc2)c2ccc3ccccc3c2)c1O
InChIInChI=1S/C23H19NO4/c25-14-19-13-20(26)22(27)23(28-19)21(24-18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)12-17/h1-13,21,24-25,27H,14H2
InChIKeyPPOGXDZLBVKRJB-UHFFFAOYSA-N
XLogP4.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The IUPAC name of 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one (CID 162643336) is 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is O=c1cc(CO)oc(C(Nc2ccccc2)c2ccc3ccccc3c2)c1O.
What is the InChIKey of 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
The InChIKey is PPOGXDZLBVKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-14-19-13-20(26)22(27)23(28-19)21(24-18-8-2-1-3-9-18)17-11-10-15-6-4-5-7-16(15)12-17/h1-13,21,24-25,27H,14H2.
What are the key properties of 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one?
2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one has a molecular weight of 373.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[anilino(naphthalen-2-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 162643336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).