4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one

C21H20N2O3 — CID 3238431

IUPAC4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-22-18-11-5-3-9-16(18)19(13-20(22)24)26-14-21(25)23-12-6-8-15-7-2-4-10-17(15)23/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyLAIRJRWVVWAYIH-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.90
Rot. Bonds3

About 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one

4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one (PubChem CID 3238431) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
PubChem CID3238431
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-22-18-11-5-3-9-16(18)19(13-20(22)24)26-14-21(25)23-12-6-8-15-7-2-4-10-17(15)23/h2-5,7,9-11,13H,6,8,12,14H2,1H3
InChIKeyLAIRJRWVVWAYIH-UHFFFAOYSA-N
XLogP2.90
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one (CID 3238431) is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one is Cn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The InChIKey is LAIRJRWVVWAYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22-18-11-5-3-9-16(18)19(13-20(22)24)26-14-21(25)23-12-6-8-15-7-2-4-10-17(15)23/h2-5,7,9-11,13H,6,8,12,14H2,1H3.
What are the key properties of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 3238431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).