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

C20H19FN6O2 — CID 154584269

IUPAC1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1CNNC1)n(-c1ncccc1F)c(=O)n3C
InChIInChI=1S/C20H19FN6O2/c1-26-16-10-23-15-7-17(29-2)12(11-8-24-25-9-11)6-13(15)18(16)27(20(26)28)19-14(21)4-3-5-22-19/h3-7,10-11,24-25H,8-9H2,1-2H3
InChIKeyGKYJBHAQTNTSBD-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.61
Rot. Bonds3

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

1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 154584269) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one
PubChem CID154584269
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1CNNC1)n(-c1ncccc1F)c(=O)n3C
InChIInChI=1S/C20H19FN6O2/c1-26-16-10-23-15-7-17(29-2)12(11-8-24-25-9-11)6-13(15)18(16)27(20(26)28)19-14(21)4-3-5-22-19/h3-7,10-11,24-25H,8-9H2,1-2H3
InChIKeyGKYJBHAQTNTSBD-UHFFFAOYSA-N
XLogP1.61
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one (CID 154584269) is 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1C1CNNC1)n(-c1ncccc1F)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is GKYJBHAQTNTSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-26-16-10-23-15-7-17(29-2)12(11-8-24-25-9-11)6-13(15)18(16)27(20(26)28)19-14(21)4-3-5-22-19/h3-7,10-11,24-25H,8-9H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 394.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 154584269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).