1-ethyl-3-methylquinoxalin-2-one

C22H24N4O2 — CID 139075519

IUPAC1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2ccccc21.CCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/2C11H12N2O/c2*1-3-13-10-7-5-4-6-9(10)12-8(2)11(13)14/h2*4-7H,3H2,1-2H3
InChIKeyCBMVUPZABLBDDO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.45
Rot. Bonds2

About 1-ethyl-3-methylquinoxalin-2-one

1-ethyl-3-methylquinoxalin-2-one (PubChem CID 139075519) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-ethyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methylquinoxalin-2-one
PubChem CID139075519
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-ethyl-3-methylquinoxalin-2-one
SMILESCCn1c(=O)c(C)nc2ccccc21.CCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/2C11H12N2O/c2*1-3-13-10-7-5-4-6-9(10)12-8(2)11(13)14/h2*4-7H,3H2,1-2H3
InChIKeyCBMVUPZABLBDDO-UHFFFAOYSA-N
XLogP3.45
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-ethyl-3-methylquinoxaline-2-thione
CID 146015013
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507
3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
CID 62374695
3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
CID 62567165
2-(1-ethylbenzimidazol-2-yl)-3-methylquinoxaline
CID 14365362
methyl 2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoate
CID 77101731

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylquinoxalin-2-one?
The IUPAC name of 1-ethyl-3-methylquinoxalin-2-one (CID 139075519) is 1-ethyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-methylquinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-methylquinoxalin-2-one is CCn1c(=O)c(C)nc2ccccc21.CCn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-methylquinoxalin-2-one?
The InChIKey is CBMVUPZABLBDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2O/c2*1-3-13-10-7-5-4-6-9(10)12-8(2)11(13)14/h2*4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylquinoxalin-2-one?
1-ethyl-3-methylquinoxalin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 139075519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).