4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol

C13H16FN3O2 — CID 67348560

IUPAC4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol
SMILESCOc1ncc2ccc(F)c(C(CO)CCN)c2n1
InChIInChI=1S/C13H16FN3O2/c1-19-13-16-6-8-2-3-10(14)11(12(8)17-13)9(7-18)4-5-15/h2-3,6,9,18H,4-5,7,15H2,1H3
InChIKeyFHZKMARMRJTJFR-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.20
Rot. Bonds5

About 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol

4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol (PubChem CID 67348560) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol
PubChem CID67348560
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol
SMILESCOc1ncc2ccc(F)c(C(CO)CCN)c2n1
InChIInChI=1S/C13H16FN3O2/c1-19-13-16-6-8-2-3-10(14)11(12(8)17-13)9(7-18)4-5-15/h2-3,6,9,18H,4-5,7,15H2,1H3
InChIKeyFHZKMARMRJTJFR-UHFFFAOYSA-N
XLogP1.20
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol?
The IUPAC name of 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol (CID 67348560) is 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol.
What is the SMILES notation for 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol?
The canonical SMILES for 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol is COc1ncc2ccc(F)c(C(CO)CCN)c2n1.
What is the InChIKey of 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol?
The InChIKey is FHZKMARMRJTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-19-13-16-6-8-2-3-10(14)11(12(8)17-13)9(7-18)4-5-15/h2-3,6,9,18H,4-5,7,15H2,1H3.
What are the key properties of 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol?
4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol has a molecular weight of 265.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(7-fluoro-2-methoxyquinazolin-8-yl)butan-1-ol is sourced from PubChem (CID 67348560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).