4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol

C25H23FN4O — CID 45488148

IUPAC4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(-c3nc4ccccc4nc3-c3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C25H23FN4O/c26-18-7-5-16(6-8-18)24-25(30-22-4-2-1-3-21(22)29-24)17-13-14-27-23(15-17)28-19-9-11-20(31)12-10-19/h1-8,13-15,19-20,31H,9-12H2,(H,27,28)
InChIKeyPTMUCXXRIKGRQL-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.21
Rot. Bonds4

About 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol

4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 45488148) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID45488148
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(-c3nc4ccccc4nc3-c3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C25H23FN4O/c26-18-7-5-16(6-8-18)24-25(30-22-4-2-1-3-21(22)29-24)17-13-14-27-23(15-17)28-19-9-11-20(31)12-10-19/h1-8,13-15,19-20,31H,9-12H2,(H,27,28)
InChIKeyPTMUCXXRIKGRQL-UHFFFAOYSA-N
XLogP5.21
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol (CID 45488148) is 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol is OC1CCC(Nc2cc(-c3nc4ccccc4nc3-c3ccc(F)cc3)ccn2)CC1.
What is the InChIKey of 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is PTMUCXXRIKGRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-18-7-5-16(6-8-18)24-25(30-22-4-2-1-3-21(22)29-24)17-13-14-27-23(15-17)28-19-9-11-20(31)12-10-19/h1-8,13-15,19-20,31H,9-12H2,(H,27,28).
What are the key properties of 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 414.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(4-fluorophenyl)quinoxalin-2-yl]-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 45488148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).