4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane

C17H18FN3O3 — CID 144548495

IUPAC4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
SMILESCC.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1O
InChIInChI=1S/C15H12FN3O3.C2H6/c1-21-14-5-9-11(6-12(14)20)18-7-19-15(9)22-13-3-2-8(17)4-10(13)16;1-2/h2-7,20H,17H2,1H3;1-2H3
InChIKeyYHYJLZZUACUOEI-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.88
Rot. Bonds3

About 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane

4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane (PubChem CID 144548495) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
PubChem CID144548495
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
SMILESCC.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1O
InChIInChI=1S/C15H12FN3O3.C2H6/c1-21-14-5-9-11(6-12(14)20)18-7-19-15(9)22-13-3-2-8(17)4-10(13)16;1-2/h2-7,20H,17H2,1H3;1-2H3
InChIKeyYHYJLZZUACUOEI-UHFFFAOYSA-N
XLogP3.88
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
tert-butyl 4-[2-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]oxyethyl]piperazine-1-carboxylate
CID 142563771
4-[3-(hydroxyamino)phenoxy]-6-methoxyquinazolin-7-ol
CID 137132890
4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
CID 133489416
N-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]hydroxylamine
CID 118527987
ethane;3-fluoro-4-(5-methylpyrimidin-4-yl)oxyaniline
CID 171509261
(E)-3-[4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]prop-2-enoic acid
CID 22030956
4-(2,3-difluorophenoxy)quinazolin-7-amine
CID 65336135
3-fluoro-4-[5-(methoxymethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyaniline
CID 59424634
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
benzyl 5-[[4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-yl]oxymethyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 90727752

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane (CID 144548495) is 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane is CC.COc1cc2c(Oc3ccc(N)cc3F)ncnc2cc1O.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane?
The InChIKey is YHYJLZZUACUOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3.C2H6/c1-21-14-5-9-11(6-12(14)20)18-7-19-15(9)22-13-3-2-8(17)4-10(13)16;1-2/h2-7,20H,17H2,1H3;1-2H3.
What are the key properties of 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane?
4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane has a molecular weight of 331.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane is sourced from PubChem (CID 144548495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).