2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol

C22H18FN3O2 — CID 56959623

IUPAC2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H18FN3O2/c23-16-7-11-18(12-8-16)28-17-9-5-15(6-10-17)21-19-3-1-2-4-20(19)25-22(26-21)24-13-14-27/h1-12,27H,13-14H2,(H,24,25,26)
InChIKeyIQXMRCUKMWKUSH-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.63
Rot. Bonds6

About 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol

2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol (PubChem CID 56959623) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol
PubChem CID56959623
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H18FN3O2/c23-16-7-11-18(12-8-16)28-17-9-5-15(6-10-17)21-19-3-1-2-4-20(19)25-22(26-21)24-13-14-27/h1-12,27H,13-14H2,(H,24,25,26)
InChIKeyIQXMRCUKMWKUSH-UHFFFAOYSA-N
XLogP4.63
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol (CID 56959623) is 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol is OCCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol?
The InChIKey is IQXMRCUKMWKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-16-7-11-18(12-8-16)28-17-9-5-15(6-10-17)21-19-3-1-2-4-20(19)25-22(26-21)24-13-14-27/h1-12,27H,13-14H2,(H,24,25,26).
What are the key properties of 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol?
2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol has a molecular weight of 375.40 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]ethanol is sourced from PubChem (CID 56959623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).