6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine

C11H7BrFN5 — CID 167827865

IUPAC6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESFc1cc2ncnc(Nc3cn[nH]c3)c2cc1Br
InChIInChI=1S/C11H7BrFN5/c12-8-1-7-10(2-9(8)13)14-5-15-11(7)18-6-3-16-17-4-6/h1-5H,(H,16,17)(H,14,15,18)
InChIKeyPPHRSFLDHNWQQI-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.00
Rot. Bonds2

About 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine

6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine (PubChem CID 167827865) has the molecular formula C11H7BrFN5 and a molecular weight of 308.11 g/mol. Its IUPAC name is 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine
PubChem CID167827865
Molecular FormulaC11H7BrFN5
Molecular Weight308.11 g/mol
Exact Mass306.99
IUPAC Name6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESFc1cc2ncnc(Nc3cn[nH]c3)c2cc1Br
InChIInChI=1S/C11H7BrFN5/c12-8-1-7-10(2-9(8)13)14-5-15-11(7)18-6-3-16-17-4-6/h1-5H,(H,16,17)(H,14,15,18)
InChIKeyPPHRSFLDHNWQQI-UHFFFAOYSA-N
XLogP3.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine (CID 167827865) is 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine is Fc1cc2ncnc(Nc3cn[nH]c3)c2cc1Br.
What is the InChIKey of 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine?
The InChIKey is PPHRSFLDHNWQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN5/c12-8-1-7-10(2-9(8)13)14-5-15-11(7)18-6-3-16-17-4-6/h1-5H,(H,16,17)(H,14,15,18).
What are the key properties of 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine?
6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine has a molecular weight of 308.11 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-N-(1H-pyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 167827865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).