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

C22H21N7O3 — CID 68672538

IUPAC8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cc(C)nn2C)c(=O)n4C)c(OC)n1
InChIInChI=1S/C22H21N7O3/c1-12-8-18(28(3)26-12)29-19-14-9-13(15-10-24-21(32-5)25-20(15)31-4)6-7-16(14)23-11-17(19)27(2)22(29)30/h6-11H,1-5H3
InChIKeyIUVSSRRHZUDBCI-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.39
Rot. Bonds4

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

8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 68672538) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID68672538
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cc(C)nn2C)c(=O)n4C)c(OC)n1
InChIInChI=1S/C22H21N7O3/c1-12-8-18(28(3)26-12)29-19-14-9-13(15-10-24-21(32-5)25-20(15)31-4)6-7-16(14)23-11-17(19)27(2)22(29)30/h6-11H,1-5H3
InChIKeyIUVSSRRHZUDBCI-UHFFFAOYSA-N
XLogP2.39
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 68672538) is 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cc(C)nn2C)c(=O)n4C)c(OC)n1.
What is the InChIKey of 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is IUVSSRRHZUDBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-12-8-18(28(3)26-12)29-19-14-9-13(15-10-24-21(32-5)25-20(15)31-4)6-7-16(14)23-11-17(19)27(2)22(29)30/h6-11H,1-5H3.
What are the key properties of 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 431.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxypyrimidin-5-yl)-1-(2,5-dimethylpyrazol-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 68672538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).