8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C21H13ClFN3O — CID 1257052

IUPAC8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccncc2)nc2c(Cl)cccc12
InChIInChI=1S/C21H13ClFN3O/c22-18-3-1-2-16-17(21(27)25-15-6-4-14(23)5-7-15)12-19(26-20(16)18)13-8-10-24-11-9-13/h1-12H,(H,25,27)
InChIKeyXWOOMOWJHXLQDM-UHFFFAOYSA-N
MW377.81 g/mol
LogP5.34
Rot. Bonds3

About 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide

8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1257052) has the molecular formula C21H13ClFN3O and a molecular weight of 377.81 g/mol. Its IUPAC name is 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1257052
Molecular FormulaC21H13ClFN3O
Molecular Weight377.81 g/mol
Exact Mass377.07
IUPAC Name8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccncc2)nc2c(Cl)cccc12
InChIInChI=1S/C21H13ClFN3O/c22-18-3-1-2-16-17(21(27)25-15-6-4-14(23)5-7-15)12-19(26-20(16)18)13-8-10-24-11-9-13/h1-12H,(H,25,27)
InChIKeyXWOOMOWJHXLQDM-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 1257052) is 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccncc2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is XWOOMOWJHXLQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O/c22-18-3-1-2-16-17(21(27)25-15-6-4-14(23)5-7-15)12-19(26-20(16)18)13-8-10-24-11-9-13/h1-12H,(H,25,27).
What are the key properties of 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-fluorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1257052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).