(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone

C17H13NO4 — CID 136706022

IUPAC(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(O)c3ncccc3c2O)cc1
InChIInChI=1S/C17H13NO4/c1-22-11-6-4-10(5-7-11)16(20)13-9-14(19)15-12(17(13)21)3-2-8-18-15/h2-9,19,21H,1H3
InChIKeyXFHMZTPJGLDHRF-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.89
Rot. Bonds3

About (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone

(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone (PubChem CID 136706022) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone
PubChem CID136706022
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(O)c3ncccc3c2O)cc1
InChIInChI=1S/C17H13NO4/c1-22-11-6-4-10(5-7-11)16(20)13-9-14(19)15-12(17(13)21)3-2-8-18-15/h2-9,19,21H,1H3
InChIKeyXFHMZTPJGLDHRF-UHFFFAOYSA-N
XLogP2.89
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone
CID 132502678
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
8-hydroxy-6-methoxyquinoline-4-carboxylic acid
CID 174995334
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(3-hydroxy-2,4-dimethoxyphenyl)-(4-methoxyphenyl)methanone
CID 56666166
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
CID 88743414

Frequently Asked Questions

What is the IUPAC name of (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone (CID 136706022) is (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(O)c3ncccc3c2O)cc1.
What is the InChIKey of (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone?
The InChIKey is XFHMZTPJGLDHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-22-11-6-4-10(5-7-11)16(20)13-9-14(19)15-12(17(13)21)3-2-8-18-15/h2-9,19,21H,1H3.
What are the key properties of (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone?
(5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone has a molecular weight of 295.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,8-dihydroxyquinolin-6-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 136706022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).