4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol

C19H21FN4O2 — CID 166628485

IUPAC4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1
InChIInChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-9-23-19(21)24-18(13)16(5-12)22-8-10(2)25/h4-7,9-10,22,25-26H,3,8H2,1-2H3,(H2,21,23,24)/t10-/m1/s1
InChIKeyFOQLMZZERLCNFU-SNVBAGLBSA-N
MW356.40 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol

4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 166628485) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
PubChem CID166628485
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1
InChIInChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-9-23-19(21)24-18(13)16(5-12)22-8-10(2)25/h4-7,9-10,22,25-26H,3,8H2,1-2H3,(H2,21,23,24)/t10-/m1/s1
InChIKeyFOQLMZZERLCNFU-SNVBAGLBSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The IUPAC name of 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol (CID 166628485) is 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol is CCc1cc(O)c(F)cc1-c1cc(NC[C@@H](C)O)c2nc(N)ncc2c1.
What is the InChIKey of 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is FOQLMZZERLCNFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-3-11-6-17(26)15(20)7-14(11)12-4-13-9-23-19(21)24-18(13)16(5-12)22-8-10(2)25/h4-7,9-10,22,25-26H,3,8H2,1-2H3,(H2,21,23,24)/t10-/m1/s1.
What are the key properties of 4-[2-amino-8-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
4-[2-amino-8-[[(2R)-2-hydroxypropyl]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-[[(2R)-2-hydroxypropyl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 166628485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).