3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine

C25H27N7O — CID 144847102

IUPAC3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine
SMILESC1CCNCC1.Cn1cc(-c2ccc(-c3ccc4ncc5c([nH]c(=O)n5C)c4c3)cn2)cn1
InChIInChI=1S/C20H16N6O.C5H11N/c1-25-11-14(9-23-25)16-5-4-13(8-21-16)12-3-6-17-15(7-12)19-18(10-22-17)26(2)20(27)24-19;1-2-4-6-5-3-1/h3-11H,1-2H3,(H,24,27);6H,1-5H2
InChIKeyGXASGDFATGVNPP-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.64
Rot. Bonds2

About 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine

3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine (PubChem CID 144847102) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine.

Molecular Properties

Compound Name3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine
PubChem CID144847102
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine
SMILESC1CCNCC1.Cn1cc(-c2ccc(-c3ccc4ncc5c([nH]c(=O)n5C)c4c3)cn2)cn1
InChIInChI=1S/C20H16N6O.C5H11N/c1-25-11-14(9-23-25)16-5-4-13(8-21-16)12-3-6-17-15(7-12)19-18(10-22-17)26(2)20(27)24-19;1-2-4-6-5-3-1/h3-11H,1-2H3,(H,24,27);6H,1-5H2
InChIKeyGXASGDFATGVNPP-UHFFFAOYSA-N
XLogP3.64
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine?
The IUPAC name of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine (CID 144847102) is 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine.
What is the SMILES notation for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine?
The canonical SMILES for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine is C1CCNCC1.Cn1cc(-c2ccc(-c3ccc4ncc5c([nH]c(=O)n5C)c4c3)cn2)cn1.
What is the InChIKey of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine?
The InChIKey is GXASGDFATGVNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O.C5H11N/c1-25-11-14(9-23-25)16-5-4-13(8-21-16)12-3-6-17-15(7-12)19-18(10-22-17)26(2)20(27)24-19;1-2-4-6-5-3-1/h3-11H,1-2H3,(H,24,27);6H,1-5H2.
What are the key properties of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine?
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine has a molecular weight of 441.54 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine is sourced from PubChem (CID 144847102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).