7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine

C8H9FN3+ — CID 173123103

IUPAC7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine
SMILESNC1=[NH+]Cc2ccc(F)cc2N1
InChIInChI=1S/C8H8FN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-3H,4H2,(H3,10,11,12)/p+1
InChIKeyZFJADALXDHVCHZ-UHFFFAOYSA-O
MW166.18 g/mol
LogP-0.85
Rot. Bonds

About 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine

7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine (PubChem CID 173123103) has the molecular formula C8H9FN3+ and a molecular weight of 166.18 g/mol. Its IUPAC name is 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine.

Molecular Properties

Compound Name7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine
PubChem CID173123103
Molecular FormulaC8H9FN3+
Molecular Weight166.18 g/mol
Exact Mass166.08
IUPAC Name7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine
SMILESNC1=[NH+]Cc2ccc(F)cc2N1
InChIInChI=1S/C8H8FN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-3H,4H2,(H3,10,11,12)/p+1
InChIKeyZFJADALXDHVCHZ-UHFFFAOYSA-O
XLogP-0.85
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine?
The IUPAC name of 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine (CID 173123103) is 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine.
What is the SMILES notation for 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine?
The canonical SMILES for 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine is NC1=[NH+]Cc2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine?
The InChIKey is ZFJADALXDHVCHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8FN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-3H,4H2,(H3,10,11,12)/p+1.
What are the key properties of 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine?
7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine has a molecular weight of 166.18 g/mol, XLogP of -0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,4-dihydroquinazolin-3-ium-2-amine is sourced from PubChem (CID 173123103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).