3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one

C16H22N2O2 — CID 608398

IUPAC3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C16H22N2O2/c1-5-18(6-2)10-14-11(3)17-15-8-7-12(20-4)9-13(15)16(14)19/h7-9H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyWRSKNUYXRBOUGS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.69
Rot. Bonds5

About 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one

3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 608398) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID608398
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one
SMILESCCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O
InChIInChI=1S/C16H22N2O2/c1-5-18(6-2)10-14-11(3)17-15-8-7-12(20-4)9-13(15)16(14)19/h7-9H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyWRSKNUYXRBOUGS-UHFFFAOYSA-N
XLogP2.69
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one (CID 608398) is 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one is CCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O.
What is the InChIKey of 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is WRSKNUYXRBOUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-18(6-2)10-14-11(3)17-15-8-7-12(20-4)9-13(15)16(14)19/h7-9H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one?
3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 274.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-6-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 608398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).