4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide

C23H27N5O4 — CID 52949646

IUPAC4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(C)cccc4nc3OC)CC2)c1
InChIInChI=1S/C23H27N5O4/c1-15-6-5-7-19-20(15)25-21(22(24-19)32-4)26-23(29)28-10-8-27(9-11-28)16-12-17(30-2)14-18(13-16)31-3/h5-7,12-14H,8-11H2,1-4H3,(H,25,26,29)
InChIKeyLCQGNKSSQXHMTQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.32
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide

4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 52949646) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID52949646
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(C)cccc4nc3OC)CC2)c1
InChIInChI=1S/C23H27N5O4/c1-15-6-5-7-19-20(15)25-21(22(24-19)32-4)26-23(29)28-10-8-27(9-11-28)16-12-17(30-2)14-18(13-16)31-3/h5-7,12-14H,8-11H2,1-4H3,(H,25,26,29)
InChIKeyLCQGNKSSQXHMTQ-UHFFFAOYSA-N
XLogP3.32
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide (CID 52949646) is 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide is COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(C)cccc4nc3OC)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is LCQGNKSSQXHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15-6-5-7-19-20(15)25-21(22(24-19)32-4)26-23(29)28-10-8-27(9-11-28)16-12-17(30-2)14-18(13-16)31-3/h5-7,12-14H,8-11H2,1-4H3,(H,25,26,29).
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide?
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 52949646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).