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

C21H21FN6O3 — CID 154584277

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CCNN5)cc4c32)c(F)c1
InChIInChI=1S/C21H21FN6O3/c1-27-17-10-23-16-8-18(31-3)12(15-4-5-25-26-15)7-13(16)19(17)28(21(27)29)20-14(22)6-11(30-2)9-24-20/h6-10,15,25-26H,4-5H2,1-3H3
InChIKeyFEMMUSPBUJRHME-UHFFFAOYSA-N
MW424.44 g/mol
LogP1.97
Rot. Bonds4

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

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 154584277) has the molecular formula C21H21FN6O3 and a molecular weight of 424.44 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID154584277
Molecular FormulaC21H21FN6O3
Molecular Weight424.44 g/mol
Exact Mass424.17
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CCNN5)cc4c32)c(F)c1
InChIInChI=1S/C21H21FN6O3/c1-27-17-10-23-16-8-18(31-3)12(15-4-5-25-26-15)7-13(16)19(17)28(21(27)29)20-14(22)6-11(30-2)9-24-20/h6-10,15,25-26H,4-5H2,1-3H3
InChIKeyFEMMUSPBUJRHME-UHFFFAOYSA-N
XLogP1.97
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.97
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-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one (CID 154584277) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CCNN5)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is FEMMUSPBUJRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3/c1-27-17-10-23-16-8-18(31-3)12(15-4-5-25-26-15)7-13(16)19(17)28(21(27)29)20-14(22)6-11(30-2)9-24-20/h6-10,15,25-26H,4-5H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 424.44 g/mol, XLogP of 1.97, 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-pyrazolidin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 154584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).