N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide

C24H29N5O2 — CID 11112574

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C24H29N5O2/c1-31-23-11-5-4-10-22(23)29-16-14-28(15-17-29)13-7-6-12-25-24(30)21-18-26-19-8-2-3-9-20(19)27-21/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,30)
InChIKeyPPJBKDPFCCVNFU-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.97
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide (PubChem CID 11112574) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide
PubChem CID11112574
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C24H29N5O2/c1-31-23-11-5-4-10-22(23)29-16-14-28(15-17-29)13-7-6-12-25-24(30)21-18-26-19-8-2-3-9-20(19)27-21/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,30)
InChIKeyPPJBKDPFCCVNFU-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide (CID 11112574) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide?
The InChIKey is PPJBKDPFCCVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-23-11-5-4-10-22(23)29-16-14-28(15-17-29)13-7-6-12-25-24(30)21-18-26-19-8-2-3-9-20(19)27-21/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,30).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 11112574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).