4-(3-fluoroanilino)cinnoline-3-carboxylic acid

C15H10FN3O2 — CID 64623734

IUPAC4-(3-fluoroanilino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1Nc1cccc(F)c1
InChIInChI=1S/C15H10FN3O2/c16-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-19-14(13)15(20)21/h1-8H,(H,17,18)(H,20,21)
InChIKeyOMGPAYJTFQQMDC-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.21
Rot. Bonds3

About 4-(3-fluoroanilino)cinnoline-3-carboxylic acid

4-(3-fluoroanilino)cinnoline-3-carboxylic acid (PubChem CID 64623734) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-(3-fluoroanilino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoroanilino)cinnoline-3-carboxylic acid
PubChem CID64623734
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name4-(3-fluoroanilino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1Nc1cccc(F)c1
InChIInChI=1S/C15H10FN3O2/c16-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-19-14(13)15(20)21/h1-8H,(H,17,18)(H,20,21)
InChIKeyOMGPAYJTFQQMDC-UHFFFAOYSA-N
XLogP3.21
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(3-fluoroanilino)cinnoline-3-carboxylic acid (CID 64623734) is 4-(3-fluoroanilino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluoroanilino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(3-fluoroanilino)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1Nc1cccc(F)c1.
What is the InChIKey of 4-(3-fluoroanilino)cinnoline-3-carboxylic acid?
The InChIKey is OMGPAYJTFQQMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-19-14(13)15(20)21/h1-8H,(H,17,18)(H,20,21).
What are the key properties of 4-(3-fluoroanilino)cinnoline-3-carboxylic acid?
4-(3-fluoroanilino)cinnoline-3-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64623734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).