3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one

C20H23N3O2 — CID 4825858

IUPAC3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one
SMILESCCN(CC)c1nc2ccccc2n(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C20H23N3O2/c1-4-22(5-2)19-20(24)23(18-12-7-6-11-17(18)21-19)14-15-9-8-10-16(13-15)25-3/h6-13H,4-5,14H2,1-3H3
InChIKeyNRYHRBKQWORMCA-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.30
Rot. Bonds6

About 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one

3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one (PubChem CID 4825858) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one
PubChem CID4825858
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one
SMILESCCN(CC)c1nc2ccccc2n(Cc2cccc(OC)c2)c1=O
InChIInChI=1S/C20H23N3O2/c1-4-22(5-2)19-20(24)23(18-12-7-6-11-17(18)21-19)14-15-9-8-10-16(13-15)25-3/h6-13H,4-5,14H2,1-3H3
InChIKeyNRYHRBKQWORMCA-UHFFFAOYSA-N
XLogP3.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one?
The IUPAC name of 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one (CID 4825858) is 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one is CCN(CC)c1nc2ccccc2n(Cc2cccc(OC)c2)c1=O.
What is the InChIKey of 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one?
The InChIKey is NRYHRBKQWORMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-22(5-2)19-20(24)23(18-12-7-6-11-17(18)21-19)14-15-9-8-10-16(13-15)25-3/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one?
3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-[(3-methoxyphenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 4825858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).