1-ethyl-3-quinolin-2-ylquinolin-4-one

C20H16N2O — CID 11277995

IUPAC1-ethyl-3-quinolin-2-ylquinolin-4-one
SMILESCCn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21
InChIInChI=1S/C20H16N2O/c1-2-22-13-16(20(23)15-8-4-6-10-19(15)22)18-12-11-14-7-3-5-9-17(14)21-18/h3-13H,2H2,1H3
InChIKeyADQPRGIBESXCSB-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.24
Rot. Bonds2

About 1-ethyl-3-quinolin-2-ylquinolin-4-one

1-ethyl-3-quinolin-2-ylquinolin-4-one (PubChem CID 11277995) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-ethyl-3-quinolin-2-ylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-quinolin-2-ylquinolin-4-one
PubChem CID11277995
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-ethyl-3-quinolin-2-ylquinolin-4-one
SMILESCCn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21
InChIInChI=1S/C20H16N2O/c1-2-22-13-16(20(23)15-8-4-6-10-19(15)22)18-12-11-14-7-3-5-9-17(14)21-18/h3-13H,2H2,1H3
InChIKeyADQPRGIBESXCSB-UHFFFAOYSA-N
XLogP4.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-quinolin-2-ylquinolin-4-one?
The IUPAC name of 1-ethyl-3-quinolin-2-ylquinolin-4-one (CID 11277995) is 1-ethyl-3-quinolin-2-ylquinolin-4-one.
What is the SMILES notation for 1-ethyl-3-quinolin-2-ylquinolin-4-one?
The canonical SMILES for 1-ethyl-3-quinolin-2-ylquinolin-4-one is CCn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-quinolin-2-ylquinolin-4-one?
The InChIKey is ADQPRGIBESXCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-2-22-13-16(20(23)15-8-4-6-10-19(15)22)18-12-11-14-7-3-5-9-17(14)21-18/h3-13H,2H2,1H3.
What are the key properties of 1-ethyl-3-quinolin-2-ylquinolin-4-one?
1-ethyl-3-quinolin-2-ylquinolin-4-one has a molecular weight of 300.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-quinolin-2-ylquinolin-4-one is sourced from PubChem (CID 11277995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).