2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone

C18H16N2O2 — CID 69363599

IUPAC2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone
SMILESCCOc1ccc2c(CC(=O)c3ccccn3)ccnc2c1
InChIInChI=1S/C18H16N2O2/c1-2-22-14-6-7-15-13(8-10-20-17(15)12-14)11-18(21)16-5-3-4-9-19-16/h3-10,12H,2,11H2,1H3
InChIKeyRVWXBRJXTQYWSP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.45
Rot. Bonds5

About 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone

2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone (PubChem CID 69363599) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone
PubChem CID69363599
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone
SMILESCCOc1ccc2c(CC(=O)c3ccccn3)ccnc2c1
InChIInChI=1S/C18H16N2O2/c1-2-22-14-6-7-15-13(8-10-20-17(15)12-14)11-18(21)16-5-3-4-9-19-16/h3-10,12H,2,11H2,1H3
InChIKeyRVWXBRJXTQYWSP-UHFFFAOYSA-N
XLogP3.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(7-methoxyquinolin-4-yl)-1-pyridin-2-ylethylidene]hydrazine
CID 73012661
3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185276
4-bromo-7-ethoxyquinoline
CID 119087799
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
ethyl pyridine-2-carboxylate
CID 17307
tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
CID 174250162
1-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone (CID 69363599) is 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone is CCOc1ccc2c(CC(=O)c3ccccn3)ccnc2c1.
What is the InChIKey of 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone?
The InChIKey is RVWXBRJXTQYWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-14-6-7-15-13(8-10-20-17(15)12-14)11-18(21)16-5-3-4-9-19-16/h3-10,12H,2,11H2,1H3.
What are the key properties of 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone?
2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone has a molecular weight of 292.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxyquinolin-4-yl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 69363599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).