1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C23H22N6O2 — CID 59619672

IUPAC1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOc1cncc(-c2ccc3ncc4c(c3c2)n(-c2c(C)cnn2C)c(=O)n4C)c1
InChIInChI=1S/C23H22N6O2/c1-5-31-17-8-16(11-24-12-17)15-6-7-19-18(9-15)21-20(13-25-19)27(3)23(30)29(21)22-14(2)10-26-28(22)4/h6-13H,5H2,1-4H3
InChIKeyRAGGZQWFTJXTQJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.38
Rot. Bonds4

About 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619672) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619672
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOc1cncc(-c2ccc3ncc4c(c3c2)n(-c2c(C)cnn2C)c(=O)n4C)c1
InChIInChI=1S/C23H22N6O2/c1-5-31-17-8-16(11-24-12-17)15-6-7-19-18(9-15)21-20(13-25-19)27(3)23(30)29(21)22-14(2)10-26-28(22)4/h6-13H,5H2,1-4H3
InChIKeyRAGGZQWFTJXTQJ-UHFFFAOYSA-N
XLogP3.38
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619672) is 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is CCOc1cncc(-c2ccc3ncc4c(c3c2)n(-c2c(C)cnn2C)c(=O)n4C)c1.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is RAGGZQWFTJXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-5-31-17-8-16(11-24-12-17)15-6-7-19-18(9-15)21-20(13-25-19)27(3)23(30)29(21)22-14(2)10-26-28(22)4/h6-13H,5H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).