(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone

C24H25FN4O4 — CID 55903948

IUPAC(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c(OC)c1
InChIInChI=1S/C24H25FN4O4/c1-14-15(2)27-22-19(11-16(25)12-20(22)26-14)24(31)29-9-7-28(8-10-29)23(30)18-6-5-17(32-3)13-21(18)33-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyXSBCXPMDQSGCBL-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.00
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 55903948) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
PubChem CID55903948
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c(OC)c1
InChIInChI=1S/C24H25FN4O4/c1-14-15(2)27-22-19(11-16(25)12-20(22)26-14)24(31)29-9-7-28(8-10-29)23(30)18-6-5-17(32-3)13-21(18)33-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyXSBCXPMDQSGCBL-UHFFFAOYSA-N
XLogP3.00
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]ethanone
CID 55887011
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55824865
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55822160
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112844489
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 41116667
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone (CID 55903948) is (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XSBCXPMDQSGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-14-15(2)27-22-19(11-16(25)12-20(22)26-14)24(31)29-9-7-28(8-10-29)23(30)18-6-5-17(32-3)13-21(18)33-4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 452.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55903948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).