8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one

C22H19FN6O3 — CID 122589331

IUPAC8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4c(F)cncc4OC)c3c2cc1-c1cn(C)nc1C
InChIInChI=1S/C22H19FN6O3/c1-11-14(10-28(2)27-11)12-5-13-16(6-18(12)31-3)25-8-17-20(13)29(22(30)26-17)21-15(23)7-24-9-19(21)32-4/h5-10H,1-4H3,(H,26,30)
InChIKeyWPTCUSZOQYZURV-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.13
Rot. Bonds4

About 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one

8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 122589331) has the molecular formula C22H19FN6O3 and a molecular weight of 434.43 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID122589331
Molecular FormulaC22H19FN6O3
Molecular Weight434.43 g/mol
Exact Mass434.15
IUPAC Name8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(-c4c(F)cncc4OC)c3c2cc1-c1cn(C)nc1C
InChIInChI=1S/C22H19FN6O3/c1-11-14(10-28(2)27-11)12-5-13-16(6-18(12)31-3)25-8-17-20(13)29(22(30)26-17)21-15(23)7-24-9-19(21)32-4/h5-10H,1-4H3,(H,26,30)
InChIKeyWPTCUSZOQYZURV-UHFFFAOYSA-N
XLogP3.13
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one (CID 122589331) is 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3[nH]c(=O)n(-c4c(F)cncc4OC)c3c2cc1-c1cn(C)nc1C.
What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is WPTCUSZOQYZURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3/c1-11-14(10-28(2)27-11)12-5-13-16(6-18(12)31-3)25-8-17-20(13)29(22(30)26-17)21-15(23)7-24-9-19(21)32-4/h5-10H,1-4H3,(H,26,30).
What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 434.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).