4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol

C19H21FN4O2 — CID 162423121

IUPAC4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1
InChIInChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1
InChIKeyLICCUQPKNWSBNT-JTQLQIEISA-N
MW356.40 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol

4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 162423121) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
PubChem CID162423121
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1
InChIInChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1
InChIKeyLICCUQPKNWSBNT-JTQLQIEISA-N
XLogP3.08
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol with MolForge

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Related Compounds

Jak-IN-19
CID 162423122
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
1-[4-[[2-Amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]piperidin-1-yl]ethanone
CID 166631610
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
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-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol
CID 166626472
4-[2-Amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626904
4-[2-Amino-8-[(1-methylpiperidin-4-yl)methylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166627206
4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166628485

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The IUPAC name of 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol (CID 162423121) is 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol is CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(N)ncc2c1.
What is the InChIKey of 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is LICCUQPKNWSBNT-JTQLQIEISA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-8-22-19(21)24-18(13)16(5-12)23-10(2)9-25/h4-8,10,23,25-26H,3,9H2,1-2H3,(H2,21,22,24)/t10-/m0/s1.
What are the key properties of 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol has a molecular weight of 356.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-8-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 162423121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).