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

C26H27N7O — CID 118101869

IUPAC1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1
InChIInChI=1S/C26H27N7O/c1-4-32-10-9-20(16-32)33-25-21-11-17(5-8-23(21)28-14-24(25)31(3)26(33)34)18-6-7-22(27-12-18)19-13-29-30(2)15-19/h5-8,11-15,20H,4,9-10,16H2,1-3H3
InChIKeyMFSIQXZMMHNVJD-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.62
Rot. Bonds4

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

1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118101869) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118101869
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1
InChIInChI=1S/C26H27N7O/c1-4-32-10-9-20(16-32)33-25-21-11-17(5-8-23(21)28-14-24(25)31(3)26(33)34)18-6-7-22(27-12-18)19-13-29-30(2)15-19/h5-8,11-15,20H,4,9-10,16H2,1-3H3
InChIKeyMFSIQXZMMHNVJD-UHFFFAOYSA-N
XLogP3.62
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 118101869) is 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is CCN1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(-c6cnn(C)c6)nc5)cc4c32)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is MFSIQXZMMHNVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-4-32-10-9-20(16-32)33-25-21-11-17(5-8-23(21)28-14-24(25)31(3)26(33)34)18-6-7-22(27-12-18)19-13-29-30(2)15-19/h5-8,11-15,20H,4,9-10,16H2,1-3H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 453.55 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).