4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one

C21H19N5O — CID 70928974

IUPAC4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
SMILESNC1CCN(c2cccc3ccc(-n4cnc5ccccc54)nc23)C(=O)C1
InChIInChI=1S/C21H19N5O/c22-15-10-11-25(20(27)12-15)18-7-3-4-14-8-9-19(24-21(14)18)26-13-23-16-5-1-2-6-17(16)26/h1-9,13,15H,10-12,22H2
InChIKeyLMVJAQUVCAMZRN-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.03
Rot. Bonds2

About 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one

4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one (PubChem CID 70928974) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
PubChem CID70928974
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
SMILESNC1CCN(c2cccc3ccc(-n4cnc5ccccc54)nc23)C(=O)C1
InChIInChI=1S/C21H19N5O/c22-15-10-11-25(20(27)12-15)18-7-3-4-14-8-9-19(24-21(14)18)26-13-23-16-5-1-2-6-17(16)26/h1-9,13,15H,10-12,22H2
InChIKeyLMVJAQUVCAMZRN-UHFFFAOYSA-N
XLogP3.03
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one?
The IUPAC name of 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one (CID 70928974) is 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one?
The canonical SMILES for 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one is NC1CCN(c2cccc3ccc(-n4cnc5ccccc54)nc23)C(=O)C1.
What is the InChIKey of 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one?
The InChIKey is LMVJAQUVCAMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c22-15-10-11-25(20(27)12-15)18-7-3-4-14-8-9-19(24-21(14)18)26-13-23-16-5-1-2-6-17(16)26/h1-9,13,15H,10-12,22H2.
What are the key properties of 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one?
4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one has a molecular weight of 357.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one is sourced from PubChem (CID 70928974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).