1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride

C48H57ClF2N8O9 — CID 160698016

IUPAC1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride
SMILESCCOC(=O)Cc1nc2cc(F)ccc2nc1OC.COc1cc(OC)cc(N2CCN(C(=O)Cc3nc4cc(F)ccc4nc3OC)CC2)c1.COc1cc(OC)cc(N2CCNCC2)c1.Cl
InChIInChI=1S/C23H25FN4O4.C13H13FN2O3.C12H18N2O2.ClH/c1-30-17-11-16(12-18(13-17)31-2)27-6-8-28(9-7-27)22(29)14-21-23(32-3)26-19-5-4-15(24)10-20(19)25-21;1-3-19-12(17)7-11-13(18-2)16-9-5-4-8(14)6-10(9)15-11;1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14;/h4-5,10-13H,6-9,14H2,1-3H3;4-6H,3,7H2,1-2H3;7-9,13H,3-6H2,1-2H3;1H
InChIKeyXDMPDSSTGWJYGO-UHFFFAOYSA-N
MW963.48 g/mol
LogP6.10
Rot. Bonds13

About 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride

1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride (PubChem CID 160698016) has the molecular formula C48H57ClF2N8O9 and a molecular weight of 963.48 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride
PubChem CID160698016
Molecular FormulaC48H57ClF2N8O9
Molecular Weight963.48 g/mol
Exact Mass962.39
IUPAC Name1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride
SMILESCCOC(=O)Cc1nc2cc(F)ccc2nc1OC.COc1cc(OC)cc(N2CCN(C(=O)Cc3nc4cc(F)ccc4nc3OC)CC2)c1.COc1cc(OC)cc(N2CCNCC2)c1.Cl
InChIInChI=1S/C23H25FN4O4.C13H13FN2O3.C12H18N2O2.ClH/c1-30-17-11-16(12-18(13-17)31-2)27-6-8-28(9-7-27)22(29)14-21-23(32-3)26-19-5-4-15(24)10-20(19)25-21;1-3-19-12(17)7-11-13(18-2)16-9-5-4-8(14)6-10(9)15-11;1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14;/h4-5,10-13H,6-9,14H2,1-3H3;4-6H,3,7H2,1-2H3;7-9,13H,3-6H2,1-2H3;1H
InChIKeyXDMPDSSTGWJYGO-UHFFFAOYSA-N
XLogP6.10
TPSA172.06 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.48
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 57027576
2-[4-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 59326716
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 113211873
2-ethyl-6-fluoro-3-methoxyquinoxaline
CID 134594725
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
2-methoxy-3-methyl-6-piperazin-1-ylquinoxaline
CID 117275293

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride?
The IUPAC name of 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride (CID 160698016) is 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride is CCOC(=O)Cc1nc2cc(F)ccc2nc1OC.COc1cc(OC)cc(N2CCN(C(=O)Cc3nc4cc(F)ccc4nc3OC)CC2)c1.COc1cc(OC)cc(N2CCNCC2)c1.Cl.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride?
The InChIKey is XDMPDSSTGWJYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4.C13H13FN2O3.C12H18N2O2.ClH/c1-30-17-11-16(12-18(13-17)31-2)27-6-8-28(9-7-27)22(29)14-21-23(32-3)26-19-5-4-15(24)10-20(19)25-21;1-3-19-12(17)7-11-13(18-2)16-9-5-4-8(14)6-10(9)15-11;1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14;/h4-5,10-13H,6-9,14H2,1-3H3;4-6H,3,7H2,1-2H3;7-9,13H,3-6H2,1-2H3;1H.
What are the key properties of 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride?
1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride has a molecular weight of 963.48 g/mol, XLogP of 6.10, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)piperazine;1-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-2-(7-fluoro-3-methoxyquinoxalin-2-yl)ethanone;ethyl 2-(7-fluoro-3-methoxyquinoxalin-2-yl)acetate;hydrochloride is sourced from PubChem (CID 160698016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).