2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide

C20H13FN4O — CID 2326989

IUPAC2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ncccn1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H13FN4O/c21-14-8-6-13(7-9-14)18-12-16(15-4-1-2-5-17(15)24-18)19(26)25-20-22-10-3-11-23-20/h1-12H,(H,22,23,25,26)
InChIKeyMVUFADCAZCEWIQ-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.08
Rot. Bonds3

About 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide

2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide (PubChem CID 2326989) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide
PubChem CID2326989
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ncccn1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H13FN4O/c21-14-8-6-13(7-9-14)18-12-16(15-4-1-2-5-17(15)24-18)19(26)25-20-22-10-3-11-23-20/h1-12H,(H,22,23,25,26)
InChIKeyMVUFADCAZCEWIQ-UHFFFAOYSA-N
XLogP4.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide (CID 2326989) is 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide is O=C(Nc1ncccn1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide?
The InChIKey is MVUFADCAZCEWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c21-14-8-6-13(7-9-14)18-12-16(15-4-1-2-5-17(15)24-18)19(26)25-20-22-10-3-11-23-20/h1-12H,(H,22,23,25,26).
What are the key properties of 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide?
2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-pyrimidin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2326989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).