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

C20H18F2N6O2 — CID 154584268

IUPAC1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1CNNC1)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C20H18F2N6O2/c1-27-16-9-23-15-5-17(30-2)12(10-6-25-26-7-10)4-13(15)18(16)28(20(27)29)19-14(22)3-11(21)8-24-19/h3-5,8-10,25-26H,6-7H2,1-2H3
InChIKeyUTWJYKGYFIKOQK-UHFFFAOYSA-N
MW412.40 g/mol
LogP1.75
Rot. Bonds3

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

1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 154584268) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one
PubChem CID154584268
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1CNNC1)n(-c1ncc(F)cc1F)c(=O)n3C
InChIInChI=1S/C20H18F2N6O2/c1-27-16-9-23-15-5-17(30-2)12(10-6-25-26-7-10)4-13(15)18(16)28(20(27)29)19-14(22)3-11(21)8-24-19/h3-5,8-10,25-26H,6-7H2,1-2H3
InChIKeyUTWJYKGYFIKOQK-UHFFFAOYSA-N
XLogP1.75
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one (CID 154584268) is 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1C1CNNC1)n(-c1ncc(F)cc1F)c(=O)n3C.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is UTWJYKGYFIKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-27-16-9-23-15-5-17(30-2)12(10-6-25-26-7-10)4-13(15)18(16)28(20(27)29)19-14(22)3-11(21)8-24-19/h3-5,8-10,25-26H,6-7H2,1-2H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one?
1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 412.40 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-pyrazolidin-4-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 154584268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).