4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one

C30H25NO4 — CID 130399414

IUPAC4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one
SMILESCOCc1ccccc1-c1ccc2c(O)c(-c3ccc(Oc4ccccc4)cc3)c(=O)n(C)c2c1
InChIInChI=1S/C30H25NO4/c1-31-27-18-21(25-11-7-6-8-22(25)19-34-2)14-17-26(27)29(32)28(30(31)33)20-12-15-24(16-13-20)35-23-9-4-3-5-10-23/h3-18,32H,19H2,1-2H3
InChIKeyCHSKNZVRTKJLLH-UHFFFAOYSA-N
MW463.53 g/mol
LogP6.52
Rot. Bonds6

About 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one

4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one (PubChem CID 130399414) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one
PubChem CID130399414
Molecular FormulaC30H25NO4
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one
SMILESCOCc1ccccc1-c1ccc2c(O)c(-c3ccc(Oc4ccccc4)cc3)c(=O)n(C)c2c1
InChIInChI=1S/C30H25NO4/c1-31-27-18-21(25-11-7-6-8-22(25)19-34-2)14-17-26(27)29(32)28(30(31)33)20-12-15-24(16-13-20)35-23-9-4-3-5-10-23/h3-18,32H,19H2,1-2H3
InChIKeyCHSKNZVRTKJLLH-UHFFFAOYSA-N
XLogP6.52
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one?
The IUPAC name of 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one (CID 130399414) is 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one.
What is the SMILES notation for 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one?
The canonical SMILES for 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one is COCc1ccccc1-c1ccc2c(O)c(-c3ccc(Oc4ccccc4)cc3)c(=O)n(C)c2c1.
What is the InChIKey of 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one?
The InChIKey is CHSKNZVRTKJLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO4/c1-31-27-18-21(25-11-7-6-8-22(25)19-34-2)14-17-26(27)29(32)28(30(31)33)20-12-15-24(16-13-20)35-23-9-4-3-5-10-23/h3-18,32H,19H2,1-2H3.
What are the key properties of 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one?
4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one has a molecular weight of 463.53 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-[2-(methoxymethyl)phenyl]-1-methyl-3-(4-phenoxyphenyl)quinolin-2-one is sourced from PubChem (CID 130399414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).