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

C20H20FN7O3 — CID 154584282

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CNNN5)cc4c32)c(F)c1
InChIInChI=1S/C20H20FN7O3/c1-27-16-9-22-14-6-17(31-3)11(15-8-24-26-25-15)5-12(14)18(16)28(20(27)29)19-13(21)4-10(30-2)7-23-19/h4-7,9,15,24-26H,8H2,1-3H3
InChIKeyJFEDZRZTIMMGSK-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.08
Rot. Bonds4

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

1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 154584282) has the molecular formula C20H20FN7O3 and a molecular weight of 425.42 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID154584282
Molecular FormulaC20H20FN7O3
Molecular Weight425.42 g/mol
Exact Mass425.16
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CNNN5)cc4c32)c(F)c1
InChIInChI=1S/C20H20FN7O3/c1-27-16-9-22-14-6-17(31-3)11(15-8-24-26-25-15)5-12(14)18(16)28(20(27)29)19-13(21)4-10(30-2)7-23-19/h4-7,9,15,24-26H,8H2,1-3H3
InChIKeyJFEDZRZTIMMGSK-UHFFFAOYSA-N
XLogP1.08
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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-(triazolidin-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-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one (CID 154584282) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-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-(triazolidin-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-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(C5CNNN5)cc4c32)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is JFEDZRZTIMMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O3/c1-27-16-9-22-14-6-17(31-3)11(15-8-24-26-25-15)5-12(14)18(16)28(20(27)29)19-13(21)4-10(30-2)7-23-19/h4-7,9,15,24-26H,8H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 425.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(triazolidin-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 154584282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).