1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone

C23H26FN5O2 — CID 166631610

IUPAC1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone
SMILESCCc1cc(O)c(F)cc1-c1cc(NC2CCN(C(C)=O)CC2)c2nc(N)ncc2c1
InChIInChI=1S/C23H26FN5O2/c1-3-14-10-21(31)19(24)11-18(14)15-8-16-12-26-23(25)28-22(16)20(9-15)27-17-4-6-29(7-5-17)13(2)30/h8-12,17,27,31H,3-7H2,1-2H3,(H2,25,26,28)
InChIKeyGFPMHEFIOGIAGK-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.71
Rot. Bonds4

About 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone

1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone (PubChem CID 166631610) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone
PubChem CID166631610
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone
SMILESCCc1cc(O)c(F)cc1-c1cc(NC2CCN(C(C)=O)CC2)c2nc(N)ncc2c1
InChIInChI=1S/C23H26FN5O2/c1-3-14-10-21(31)19(24)11-18(14)15-8-16-12-26-23(25)28-22(16)20(9-15)27-17-4-6-29(7-5-17)13(2)30/h8-12,17,27,31H,3-7H2,1-2H3,(H2,25,26,28)
InChIKeyGFPMHEFIOGIAGK-UHFFFAOYSA-N
XLogP3.71
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
CID 162423121
Jak-IN-19
CID 162423122
2-Aminoquinazoline 30
CID 135402988
4-[2-amino-8-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626454
4-[2-amino-8-[[(2S)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166627657
4-[2-amino-8-[[(3S)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166633169
2-[[2-Amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol
CID 166634507
3-[3-(4-Methylpiperazin-4-ium-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
CID 44629738
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylamino)pyrimidin-5-yl]phenol
CID 122186121
4-[2-[3-(dimethylamino)propylamino]-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166625923
4-[2-Amino-8-[(1-methylpiperidin-4-yl)amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626053
4-[2-Amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626904

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone (CID 166631610) is 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone is CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C(C)=O)CC2)c2nc(N)ncc2c1.
What is the InChIKey of 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is GFPMHEFIOGIAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-3-14-10-21(31)19(24)11-18(14)15-8-16-12-26-23(25)28-22(16)20(9-15)27-17-4-6-29(7-5-17)13(2)30/h8-12,17,27,31H,3-7H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 423.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 166631610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).