3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one

C22H19FN4O2 — CID 71828001

IUPAC3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2c(F)cccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H19FN4O2/c23-16-5-3-4-14-19(16)24-12-15(20(14)28)22(29)27-10-8-13(9-11-27)21-25-17-6-1-2-7-18(17)26-21/h1-7,12-13H,8-11H2,(H,24,28)(H,25,26)
InChIKeyPWULDMZVZIDGMC-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.56
Rot. Bonds2

About 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one

3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one (PubChem CID 71828001) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one
PubChem CID71828001
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2c(F)cccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H19FN4O2/c23-16-5-3-4-14-19(16)24-12-15(20(14)28)22(29)27-10-8-13(9-11-27)21-25-17-6-1-2-7-18(17)26-21/h1-7,12-13H,8-11H2,(H,24,28)(H,25,26)
InChIKeyPWULDMZVZIDGMC-UHFFFAOYSA-N
XLogP3.56
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one (CID 71828001) is 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one is O=C(c1c[nH]c2c(F)cccc2c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one?
The InChIKey is PWULDMZVZIDGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-16-5-3-4-14-19(16)24-12-15(20(14)28)22(29)27-10-8-13(9-11-27)21-25-17-6-1-2-7-18(17)26-21/h1-7,12-13H,8-11H2,(H,24,28)(H,25,26).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one?
3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one has a molecular weight of 390.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 71828001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).