3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid

C22H14FN3O3 — CID 155202157

IUPAC3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(F)cc23)c1
InChIInChI=1S/C22H14FN3O3/c23-15-6-7-19-17(10-15)18(11-20(26-19)14-4-2-8-24-12-14)21(27)25-16-5-1-3-13(9-16)22(28)29/h1-12H,(H,25,27)(H,28,29)
InChIKeyWVXXTQJANNXEHA-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.39
Rot. Bonds4

About 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid

3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid (PubChem CID 155202157) has the molecular formula C22H14FN3O3 and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid
PubChem CID155202157
Molecular FormulaC22H14FN3O3
Molecular Weight387.37 g/mol
Exact Mass387.10
IUPAC Name3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(F)cc23)c1
InChIInChI=1S/C22H14FN3O3/c23-15-6-7-19-17(10-15)18(11-20(26-19)14-4-2-8-24-12-14)21(27)25-16-5-1-3-13(9-16)22(28)29/h1-12H,(H,25,27)(H,28,29)
InChIKeyWVXXTQJANNXEHA-UHFFFAOYSA-N
XLogP4.39
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid (CID 155202157) is 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(F)cc23)c1.
What is the InChIKey of 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid?
The InChIKey is WVXXTQJANNXEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O3/c23-15-6-7-19-17(10-15)18(11-20(26-19)14-4-2-8-24-12-14)21(27)25-16-5-1-3-13(9-16)22(28)29/h1-12H,(H,25,27)(H,28,29).
What are the key properties of 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid?
3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid has a molecular weight of 387.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridin-3-ylquinoline-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 155202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).