(3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone

C16H20N4O2 — CID 51003391

IUPAC(3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-14(16(21)20-10-8-19(2)9-11-20)17-12-6-4-5-7-13(12)18-15/h4-7H,3,8-11H2,1-2H3
InChIKeyOHBUNSDDNYHRPH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.42
Rot. Bonds3

About (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone

(3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 51003391) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID51003391
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H20N4O2/c1-3-22-15-14(16(21)20-10-8-19(2)9-11-20)17-12-6-4-5-7-13(12)18-15/h4-7H,3,8-11H2,1-2H3
InChIKeyOHBUNSDDNYHRPH-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methylquinoxalin-2-yl)oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 2367722
2-[4-(3-Chlorophenyl)piperazine-1-carbonyl]-3-ethoxyquinoxaline
CID 50780663
(3-Ethoxyquinoxalin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 51003392
(3-Ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 53316660
(3-Ethoxyquinoxalin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53317963
[4-(4-Chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
CID 53321439
(3-Ethoxyquinoxalin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 53321905
N-[2-(dimethylamino)ethyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53322760
N-butyl-3-methoxyquinoxaline-2-carboxamide
CID 71712276
(3-Ethoxyquinoxalin-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 53316659
N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53320602
(3-Ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 53323253

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 51003391) is (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OHBUNSDDNYHRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-22-15-14(16(21)20-10-8-19(2)9-11-20)17-12-6-4-5-7-13(12)18-15/h4-7H,3,8-11H2,1-2H3.
What are the key properties of (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 51003391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).