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

C25H25N7O — CID 118101794

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1
InChIInChI=1S/C25H25N7O/c1-29-9-8-19(15-29)32-24-20-10-16(4-7-22(20)27-13-23(24)31(3)25(32)33)17-5-6-21(26-11-17)18-12-28-30(2)14-18/h4-7,10-14,19H,8-9,15H2,1-3H3
InChIKeyMRYXQEWYPNZMLN-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.23
Rot. Bonds3

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

3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 118101794) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID118101794
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1
InChIInChI=1S/C25H25N7O/c1-29-9-8-19(15-29)32-24-20-10-16(4-7-22(20)27-13-23(24)31(3)25(32)33)17-5-6-21(26-11-17)18-12-28-30(2)14-18/h4-7,10-14,19H,8-9,15H2,1-3H3
InChIKeyMRYXQEWYPNZMLN-UHFFFAOYSA-N
XLogP3.23
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one (CID 118101794) is 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one is CN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1.
What is the InChIKey of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is MRYXQEWYPNZMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-29-9-8-19(15-29)32-24-20-10-16(4-7-22(20)27-13-23(24)31(3)25(32)33)17-5-6-21(26-11-17)18-12-28-30(2)14-18/h4-7,10-14,19H,8-9,15H2,1-3H3.
What are the key properties of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one?
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 439.52 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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