4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol

C17H16FN3O2 — CID 66755493

IUPAC4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(NC(C)c3ccc(F)cc3)c2cc1O
InChIInChI=1S/C17H16FN3O2/c1-10(11-3-5-12(18)6-4-11)21-17-13-7-15(22)16(23-2)8-14(13)19-9-20-17/h3-10,22H,1-2H3,(H,19,20,21)
InChIKeyWSYSVDVCWKHMPJ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.66
Rot. Bonds4

About 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol

4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol (PubChem CID 66755493) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
PubChem CID66755493
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(NC(C)c3ccc(F)cc3)c2cc1O
InChIInChI=1S/C17H16FN3O2/c1-10(11-3-5-12(18)6-4-11)21-17-13-7-15(22)16(23-2)8-14(13)19-9-20-17/h3-10,22H,1-2H3,(H,19,20,21)
InChIKeyWSYSVDVCWKHMPJ-UHFFFAOYSA-N
XLogP3.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol (CID 66755493) is 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol is COc1cc2ncnc(NC(C)c3ccc(F)cc3)c2cc1O.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol?
The InChIKey is WSYSVDVCWKHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10(11-3-5-12(18)6-4-11)21-17-13-7-15(22)16(23-2)8-14(13)19-9-20-17/h3-10,22H,1-2H3,(H,19,20,21).
What are the key properties of 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol?
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol has a molecular weight of 313.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 66755493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).