7-fluoro-5-methoxyquinazolin-4-amine

C9H8FN3O — CID 130019322

IUPAC7-fluoro-5-methoxyquinazolin-4-amine
SMILESCOc1cc(F)cc2ncnc(N)c12
InChIInChI=1S/C9H8FN3O/c1-14-7-3-5(10)2-6-8(7)9(11)13-4-12-6/h2-4H,1H3,(H2,11,12,13)
InChIKeyCQQZCGAEHZJPHX-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.36
Rot. Bonds1

About 7-fluoro-5-methoxyquinazolin-4-amine

7-fluoro-5-methoxyquinazolin-4-amine (PubChem CID 130019322) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-5-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-5-methoxyquinazolin-4-amine
PubChem CID130019322
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name7-fluoro-5-methoxyquinazolin-4-amine
SMILESCOc1cc(F)cc2ncnc(N)c12
InChIInChI=1S/C9H8FN3O/c1-14-7-3-5(10)2-6-8(7)9(11)13-4-12-6/h2-4H,1H3,(H2,11,12,13)
InChIKeyCQQZCGAEHZJPHX-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxyquinazolin-4-amine?
The IUPAC name of 7-fluoro-5-methoxyquinazolin-4-amine (CID 130019322) is 7-fluoro-5-methoxyquinazolin-4-amine.
What is the SMILES notation for 7-fluoro-5-methoxyquinazolin-4-amine?
The canonical SMILES for 7-fluoro-5-methoxyquinazolin-4-amine is COc1cc(F)cc2ncnc(N)c12.
What is the InChIKey of 7-fluoro-5-methoxyquinazolin-4-amine?
The InChIKey is CQQZCGAEHZJPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-14-7-3-5(10)2-6-8(7)9(11)13-4-12-6/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 7-fluoro-5-methoxyquinazolin-4-amine?
7-fluoro-5-methoxyquinazolin-4-amine has a molecular weight of 193.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methoxyquinazolin-4-amine is sourced from PubChem (CID 130019322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).