6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide

C21H13ClFN3O — CID 90094639

IUPAC6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide
SMILESNC(=O)c1ccnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12
InChIInChI=1S/C21H13ClFN3O/c22-13-4-5-18(23)17(11-13)20-14(2-1-8-26-20)12-3-6-19-16(10-12)15(21(24)27)7-9-25-19/h1-11H,(H2,24,27)
InChIKeyJUBWSUGGIGIZCO-UHFFFAOYSA-N
MW377.81 g/mol
LogP4.86
Rot. Bonds3

About 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide (PubChem CID 90094639) has the molecular formula C21H13ClFN3O and a molecular weight of 377.81 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide
PubChem CID90094639
Molecular FormulaC21H13ClFN3O
Molecular Weight377.81 g/mol
Exact Mass377.07
IUPAC Name6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide
SMILESNC(=O)c1ccnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12
InChIInChI=1S/C21H13ClFN3O/c22-13-4-5-18(23)17(11-13)20-14(2-1-8-26-20)12-3-6-19-16(10-12)15(21(24)27)7-9-25-19/h1-11H,(H2,24,27)
InChIKeyJUBWSUGGIGIZCO-UHFFFAOYSA-N
XLogP4.86
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide?
The IUPAC name of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide (CID 90094639) is 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide?
The canonical SMILES for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide is NC(=O)c1ccnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.
What is the InChIKey of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide?
The InChIKey is JUBWSUGGIGIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O/c22-13-4-5-18(23)17(11-13)20-14(2-1-8-26-20)12-3-6-19-16(10-12)15(21(24)27)7-9-25-19/h1-11H,(H2,24,27).
What are the key properties of 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide?
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 90094639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).