7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline

C18H12FN3 — CID 70689815

IUPAC7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline
SMILESFc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C18H12FN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H
InChIKeyAAQLGZRECZLSBE-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.23
Rot. Bonds2

About 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline

7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline (PubChem CID 70689815) has the molecular formula C18H12FN3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline
PubChem CID70689815
Molecular FormulaC18H12FN3
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC Name7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline
SMILESFc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C18H12FN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H
InChIKeyAAQLGZRECZLSBE-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline (CID 70689815) is 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline is Fc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline?
The InChIKey is AAQLGZRECZLSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H.
What are the key properties of 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline?
7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline has a molecular weight of 289.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70689815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).