2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol

C19H21FN4O3 — CID 166634507

IUPAC2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol
SMILESCCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
InChIInChI=1S/C19H21FN4O3/c1-2-10-5-17(27)15(20)6-14(10)11-3-12-7-22-19(21)24-18(12)16(4-11)23-13(8-25)9-26/h3-7,13,23,25-27H,2,8-9H2,1H3,(H2,21,22,24)
InChIKeySQGLRKHUXRLUBD-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.05
Rot. Bonds6

About 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol

2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol (PubChem CID 166634507) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol
PubChem CID166634507
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol
SMILESCCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
InChIInChI=1S/C19H21FN4O3/c1-2-10-5-17(27)15(20)6-14(10)11-3-12-7-22-19(21)24-18(12)16(4-11)23-13(8-25)9-26/h3-7,13,23,25-27H,2,8-9H2,1H3,(H2,21,22,24)
InChIKeySQGLRKHUXRLUBD-UHFFFAOYSA-N
XLogP2.05
TPSA124.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol (CID 166634507) is 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol is CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1.
What is the InChIKey of 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol?
The InChIKey is SQGLRKHUXRLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-2-10-5-17(27)15(20)6-14(10)11-3-12-7-22-19(21)24-18(12)16(4-11)23-13(8-25)9-26/h3-7,13,23,25-27H,2,8-9H2,1H3,(H2,21,22,24).
What are the key properties of 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol?
2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol has a molecular weight of 372.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)quinazolin-8-yl]amino]propane-1,3-diol is sourced from PubChem (CID 166634507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).