N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

C20H12FN5O2 — CID 118378691

IUPACN-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
SMILESO=C(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
InChIInChI=1S/C20H12FN5O2/c21-15-3-4-17(25-10-15)26-20(28)16-7-13(6-12-2-1-5-24-18(12)16)19(27)14-8-22-11-23-9-14/h1-11H,(H,25,26,28)
InChIKeyRUABZPGRDIJZHR-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.04
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide (PubChem CID 118378691) has the molecular formula C20H12FN5O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
PubChem CID118378691
Molecular FormulaC20H12FN5O2
Molecular Weight373.35 g/mol
Exact Mass373.10
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
SMILESO=C(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1
InChIInChI=1S/C20H12FN5O2/c21-15-3-4-17(25-10-15)26-20(28)16-7-13(6-12-2-1-5-24-18(12)16)19(27)14-8-22-11-23-9-14/h1-11H,(H,25,26,28)
InChIKeyRUABZPGRDIJZHR-UHFFFAOYSA-N
XLogP3.04
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide (CID 118378691) is N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide is O=C(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)c2ncccc2c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The InChIKey is RUABZPGRDIJZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O2/c21-15-3-4-17(25-10-15)26-20(28)16-7-13(6-12-2-1-5-24-18(12)16)19(27)14-8-22-11-23-9-14/h1-11H,(H,25,26,28).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide has a molecular weight of 373.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide is sourced from PubChem (CID 118378691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).