2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol

C26H33N5O3 — CID 121335604

IUPAC2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1
InChIInChI=1S/C26H33N5O3/c1-26(2,32)18-7-8-28-24(15-18)30-19-3-5-21(6-4-19)34-23-17-20(31-11-13-33-14-12-31)16-22-25(23)29-10-9-27-22/h7-10,15-17,19,21,32H,3-6,11-14H2,1-2H3,(H,28,30)
InChIKeyIAYOSIXBXMMALH-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol

2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol (PubChem CID 121335604) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
PubChem CID121335604
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1
InChIInChI=1S/C26H33N5O3/c1-26(2,32)18-7-8-28-24(15-18)30-19-3-5-21(6-4-19)34-23-17-20(31-11-13-33-14-12-31)16-22-25(23)29-10-9-27-22/h7-10,15-17,19,21,32H,3-6,11-14H2,1-2H3,(H,28,30)
InChIKeyIAYOSIXBXMMALH-UHFFFAOYSA-N
XLogP3.89
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol (CID 121335604) is 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol is CC(C)(O)c1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.
What is the InChIKey of 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol?
The InChIKey is IAYOSIXBXMMALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-26(2,32)18-7-8-28-24(15-18)30-19-3-5-21(6-4-19)34-23-17-20(31-11-13-33-14-12-31)16-22-25(23)29-10-9-27-22/h7-10,15-17,19,21,32H,3-6,11-14H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol?
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol has a molecular weight of 463.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 121335604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).