3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one

C25H17NO2 — CID 2755366

IUPAC3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one
SMILESCc1ccc(-c2ccc3nc(C4=C(O)c5ccccc5C4=O)ccc3c2)cc1
InChIInChI=1S/C25H17NO2/c1-15-6-8-16(9-7-15)17-10-12-21-18(14-17)11-13-22(26-21)23-24(27)19-4-2-3-5-20(19)25(23)28/h2-14,27H,1H3
InChIKeySGWFYMNBGMTOGX-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.83
Rot. Bonds2

About 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one

3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one (PubChem CID 2755366) has the molecular formula C25H17NO2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one
PubChem CID2755366
Molecular FormulaC25H17NO2
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC Name3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one
SMILESCc1ccc(-c2ccc3nc(C4=C(O)c5ccccc5C4=O)ccc3c2)cc1
InChIInChI=1S/C25H17NO2/c1-15-6-8-16(9-7-15)17-10-12-21-18(14-17)11-13-22(26-21)23-24(27)19-4-2-3-5-20(19)25(23)28/h2-14,27H,1H3
InChIKeySGWFYMNBGMTOGX-UHFFFAOYSA-N
XLogP5.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one (CID 2755366) is 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one is Cc1ccc(-c2ccc3nc(C4=C(O)c5ccccc5C4=O)ccc3c2)cc1.
What is the InChIKey of 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one?
The InChIKey is SGWFYMNBGMTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2/c1-15-6-8-16(9-7-15)17-10-12-21-18(14-17)11-13-22(26-21)23-24(27)19-4-2-3-5-20(19)25(23)28/h2-14,27H,1H3.
What are the key properties of 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one?
3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one has a molecular weight of 363.42 g/mol, XLogP of 5.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one is sourced from PubChem (CID 2755366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).