[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone

C21H21ClN4O2 — CID 53321439

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-5-3-4-6-18(17)24-20)21(27)26-13-11-25(12-14-26)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyPBEASSVQRPIKIP-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.64
Rot. Bonds4

About [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone (PubChem CID 53321439) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
PubChem CID53321439
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-5-3-4-6-18(17)24-20)21(27)26-13-11-25(12-14-26)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyPBEASSVQRPIKIP-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-Chlorophenyl)piperazine-1-carbonyl]-3-ethoxyquinoxaline
CID 50780663
(3-Ethoxyquinoxalin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 51003391
(3-Ethoxyquinoxalin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 51003392
(3-Ethoxyquinoxalin-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 53316660
N-[2-(dimethylamino)ethyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53322760
(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
3-ethoxy-N-pyridin-3-ylquinoxaline-2-carboxamide
CID 53317964
(4-Benzylpiperazin-1-yl)-(3-ethoxyquinoxalin-2-yl)methanone
CID 53321673
N-[2-(diethylamino)ethyl]-3-ethoxyquinoxaline-2-carboxamide
CID 53323254
(4-Benzylpiperazin-1-yl)(3-methoxyquinoxalin-2-yl) methanone
CID 70676968

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone (CID 53321439) is [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
The InChIKey is PBEASSVQRPIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-5-3-4-6-18(17)24-20)21(27)26-13-11-25(12-14-26)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxyquinoxalin-2-yl)methanone is sourced from PubChem (CID 53321439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).