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

C22H23FN6O3 — CID 154584279

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CNNC5C)cc4c32)c(F)c1
InChIInChI=1S/C22H23FN6O3/c1-11-15(9-26-27-11)13-6-14-17(7-19(13)32-4)24-10-18-20(14)29(22(30)28(18)2)21-16(23)5-12(31-3)8-25-21/h5-8,10-11,15,26-27H,9H2,1-4H3
InChIKeyZPUGZIUVUFWQTB-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.01
Rot. Bonds4

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

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 154584279) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID154584279
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CNNC5C)cc4c32)c(F)c1
InChIInChI=1S/C22H23FN6O3/c1-11-15(9-26-27-11)13-6-14-17(7-19(13)32-4)24-10-18-20(14)29(22(30)28(18)2)21-16(23)5-12(31-3)8-25-21/h5-8,10-11,15,26-27H,9H2,1-4H3
InChIKeyZPUGZIUVUFWQTB-UHFFFAOYSA-N
XLogP2.01
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one (CID 154584279) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CNNC5C)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is ZPUGZIUVUFWQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-11-15(9-26-27-11)13-6-14-17(7-19(13)32-4)24-10-18-20(14)29(22(30)28(18)2)21-16(23)5-12(31-3)8-25-21/h5-8,10-11,15,26-27H,9H2,1-4H3.
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 438.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(3-methylpyrazolidin-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 154584279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).