(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone

C18H16N2O3 — CID 152754878

IUPAC(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone
SMILESCCOc1ccc(C(=O)c2nc3ccccc3nc2CO)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-13-9-7-12(8-10-13)18(22)17-16(11-21)19-14-5-3-4-6-15(14)20-17/h3-10,21H,2,11H2,1H3
InChIKeyDSOPPJDGPZOZKY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.75
Rot. Bonds5

About (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone

(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone (PubChem CID 152754878) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone
PubChem CID152754878
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone
SMILESCCOc1ccc(C(=O)c2nc3ccccc3nc2CO)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-13-9-7-12(8-10-13)18(22)17-16(11-21)19-14-5-3-4-6-15(14)20-17/h3-10,21H,2,11H2,1H3
InChIKeyDSOPPJDGPZOZKY-UHFFFAOYSA-N
XLogP2.75
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
CID 176908691
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
[6-chloro-3-(methylamino)-2-pyridinyl]-(4-ethoxyphenyl)methanone
CID 21448713
[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone
CID 90670612
4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
CID 4601596
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397
1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 112781068

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone (CID 152754878) is (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone is CCOc1ccc(C(=O)c2nc3ccccc3nc2CO)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone?
The InChIKey is DSOPPJDGPZOZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-13-9-7-12(8-10-13)18(22)17-16(11-21)19-14-5-3-4-6-15(14)20-17/h3-10,21H,2,11H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone?
(4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(hydroxymethyl)quinoxalin-2-yl]methanone is sourced from PubChem (CID 152754878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).