4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one

C18H21N5O2 — CID 167848749

IUPAC4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one
SMILESCN(C)c1cnc(C(=O)N2c3ccccc3N(C)C(=O)C2(C)C)cn1
InChIInChI=1S/C18H21N5O2/c1-18(2)17(25)22(5)13-8-6-7-9-14(13)23(18)16(24)12-10-20-15(11-19-12)21(3)4/h6-11H,1-5H3
InChIKeyLNNZALWMQDDQFG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.94
Rot. Bonds2

About 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one

4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one (PubChem CID 167848749) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one.

Molecular Properties

Compound Name4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one
PubChem CID167848749
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one
SMILESCN(C)c1cnc(C(=O)N2c3ccccc3N(C)C(=O)C2(C)C)cn1
InChIInChI=1S/C18H21N5O2/c1-18(2)17(25)22(5)13-8-6-7-9-14(13)23(18)16(24)12-10-20-15(11-19-12)21(3)4/h6-11H,1-5H3
InChIKeyLNNZALWMQDDQFG-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one?
The IUPAC name of 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one (CID 167848749) is 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one.
What is the SMILES notation for 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one?
The canonical SMILES for 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one is CN(C)c1cnc(C(=O)N2c3ccccc3N(C)C(=O)C2(C)C)cn1.
What is the InChIKey of 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one?
The InChIKey is LNNZALWMQDDQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-18(2)17(25)22(5)13-8-6-7-9-14(13)23(18)16(24)12-10-20-15(11-19-12)21(3)4/h6-11H,1-5H3.
What are the key properties of 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one?
4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)pyrazine-2-carbonyl]-1,3,3-trimethylquinoxalin-2-one is sourced from PubChem (CID 167848749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).