2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone

C23H20N2O5 — CID 159756197

IUPAC2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone
SMILESCc1c(C(=O)CO)ccc2cccnc12.O=C(CO)c1ccc2cccnc2c1O
InChIInChI=1S/C12H11NO2.C11H9NO3/c1-8-10(11(15)7-14)5-4-9-3-2-6-13-12(8)9;13-6-9(14)8-4-3-7-2-1-5-12-10(7)11(8)15/h2-6,14H,7H2,1H3;1-5,13,15H,6H2
InChIKeyNEHIWXNFPAOZGH-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.83
Rot. Bonds4

About 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone

2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone (PubChem CID 159756197) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone
PubChem CID159756197
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone
SMILESCc1c(C(=O)CO)ccc2cccnc12.O=C(CO)c1ccc2cccnc2c1O
InChIInChI=1S/C12H11NO2.C11H9NO3/c1-8-10(11(15)7-14)5-4-9-3-2-6-13-12(8)9;13-6-9(14)8-4-3-7-2-1-5-12-10(7)11(8)15/h2-6,14H,7H2,1H3;1-5,13,15H,6H2
InChIKeyNEHIWXNFPAOZGH-UHFFFAOYSA-N
XLogP2.83
TPSA120.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-fluoro-2-methylphenyl)-8-hydroxyquinoline-7-carboxamide
CID 18372561
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
7-(4-phenylbut-2-en-2-yl)quinolin-8-ol
CID 71371362
8-hydroxy-N,N-diphenylquinoline-7-carboxamide;hydrochloride
CID 70164229
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
1-(8-hydroxyquinolin-7-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 157346419
8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone (CID 159756197) is 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone is Cc1c(C(=O)CO)ccc2cccnc12.O=C(CO)c1ccc2cccnc2c1O.
What is the InChIKey of 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone?
The InChIKey is NEHIWXNFPAOZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.C11H9NO3/c1-8-10(11(15)7-14)5-4-9-3-2-6-13-12(8)9;13-6-9(14)8-4-3-7-2-1-5-12-10(7)11(8)15/h2-6,14H,7H2,1H3;1-5,13,15H,6H2.
What are the key properties of 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone?
2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone has a molecular weight of 404.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone is sourced from PubChem (CID 159756197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).