1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one

C14H20N2O — CID 153308057

IUPAC1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(C)c2ccc(C(C)C)cc21
InChIInChI=1S/C14H20N2O/c1-5-16-13-8-11(10(2)3)6-7-12(13)15(4)9-14(16)17/h6-8,10H,5,9H2,1-4H3
InChIKeyXRUDVTNXVLLIPY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.61
Rot. Bonds2

About 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one

1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 153308057) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one
PubChem CID153308057
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(C)c2ccc(C(C)C)cc21
InChIInChI=1S/C14H20N2O/c1-5-16-13-8-11(10(2)3)6-7-12(13)15(4)9-14(16)17/h6-8,10H,5,9H2,1-4H3
InChIKeyXRUDVTNXVLLIPY-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one (CID 153308057) is 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one is CCN1C(=O)CN(C)c2ccc(C(C)C)cc21.
What is the InChIKey of 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is XRUDVTNXVLLIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-16-13-8-11(10(2)3)6-7-12(13)15(4)9-14(16)17/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one?
1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 153308057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).