2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

C24H35N5O2 — CID 23368053

IUPAC2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCCCOc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C24H35N5O2/c1-2-17-30-23-11-7-10-22(27-23)29-15-13-28(14-16-29)12-5-6-18-31-24-19-25-20-8-3-4-9-21(20)26-24/h7,10-11,19H,2-6,8-9,12-18H2,1H3
InChIKeyDUKKYUVLMOONNW-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.52
Rot. Bonds10

About 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (PubChem CID 23368053) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
PubChem CID23368053
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCCCOc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C24H35N5O2/c1-2-17-30-23-11-7-10-22(27-23)29-15-13-28(14-16-29)12-5-6-18-31-24-19-25-20-8-3-4-9-21(20)26-24/h7,10-11,19H,2-6,8-9,12-18H2,1H3
InChIKeyDUKKYUVLMOONNW-UHFFFAOYSA-N
XLogP3.52
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (CID 23368053) is 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is CCCOc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1.
What is the InChIKey of 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is DUKKYUVLMOONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-2-17-30-23-11-7-10-22(27-23)29-15-13-28(14-16-29)12-5-6-18-31-24-19-25-20-8-3-4-9-21(20)26-24/h7,10-11,19H,2-6,8-9,12-18H2,1H3.
What are the key properties of 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 425.58 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-propoxy-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 23368053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).