1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone

C18H15NO3 — CID 2330404

IUPAC1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone
SMILESCc1cc(CC(=O)c2ccc(O)cc2O)c2ncccc2c1
InChIInChI=1S/C18H15NO3/c1-11-7-12-3-2-6-19-18(12)13(8-11)9-16(21)15-5-4-14(20)10-17(15)22/h2-8,10,20,22H,9H2,1H3
InChIKeyDDBKNMHJKODZSE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.38
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone

1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone (PubChem CID 2330404) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone
PubChem CID2330404
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone
SMILESCc1cc(CC(=O)c2ccc(O)cc2O)c2ncccc2c1
InChIInChI=1S/C18H15NO3/c1-11-7-12-3-2-6-19-18(12)13(8-11)9-16(21)15-5-4-14(20)10-17(15)22/h2-8,10,20,22H,9H2,1H3
InChIKeyDDBKNMHJKODZSE-UHFFFAOYSA-N
XLogP3.38
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone (CID 2330404) is 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone is Cc1cc(CC(=O)c2ccc(O)cc2O)c2ncccc2c1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone?
The InChIKey is DDBKNMHJKODZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-7-12-3-2-6-19-18(12)13(8-11)9-16(21)15-5-4-14(20)10-17(15)22/h2-8,10,20,22H,9H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone has a molecular weight of 293.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone is sourced from PubChem (CID 2330404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).