4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol

C19H22FN5O — CID 166626904

IUPAC4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1
InChIInChI=1S/C19H22FN5O/c1-3-11-8-17(26)15(20)9-14(11)12-6-13-10-24-19(21)25-18(13)16(7-12)23-5-4-22-2/h6-10,22-23,26H,3-5H2,1-2H3,(H2,21,24,25)
InChIKeyXYMDXRUKEZEIRT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.92
Rot. Bonds6

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

4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 166626904) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
PubChem CID166626904
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1
InChIInChI=1S/C19H22FN5O/c1-3-11-8-17(26)15(20)9-14(11)12-6-13-10-24-19(21)25-18(13)16(7-12)23-5-4-22-2/h6-10,22-23,26H,3-5H2,1-2H3,(H2,21,24,25)
InChIKeyXYMDXRUKEZEIRT-UHFFFAOYSA-N
XLogP2.92
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The IUPAC name of 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol (CID 166626904) is 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol is CCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1.
What is the InChIKey of 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is XYMDXRUKEZEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-3-11-8-17(26)15(20)9-14(11)12-6-13-10-24-19(21)25-18(13)16(7-12)23-5-4-22-2/h6-10,22-23,26H,3-5H2,1-2H3,(H2,21,24,25).
What are the key properties of 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol?
4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol has a molecular weight of 355.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-8-[2-(methylamino)ethylamino]quinazolin-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 166626904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).