8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

C18H18FN3O — CID 67604442

IUPAC8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2c(F)cccc12
InChIInChI=1S/C18H18FN3O/c1-23-11-14-6-3-2-5-13(14)9-10-20-18-15-7-4-8-16(19)17(15)21-12-22-18/h2-8,12H,9-11H2,1H3,(H,20,21,22)
InChIKeyJEIYOBKDYFACBT-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.57
Rot. Bonds6

About 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67604442) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67604442
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2c(F)cccc12
InChIInChI=1S/C18H18FN3O/c1-23-11-14-6-3-2-5-13(14)9-10-20-18-15-7-4-8-16(19)17(15)21-12-22-18/h2-8,12H,9-11H2,1H3,(H,20,21,22)
InChIKeyJEIYOBKDYFACBT-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (CID 67604442) is 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is COCc1ccccc1CCNc1ncnc2c(F)cccc12.
What is the InChIKey of 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is JEIYOBKDYFACBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-23-11-14-6-3-2-5-13(14)9-10-20-18-15-7-4-8-16(19)17(15)21-12-22-18/h2-8,12H,9-11H2,1H3,(H,20,21,22).
What are the key properties of 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 311.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67604442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).