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

C20H20FN7O2 — CID 154584276

IUPAC8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1CC(N)NN1)n(-c1ncccc1F)c(=O)n3C
InChIInChI=1S/C20H20FN7O2/c1-27-15-9-24-13-7-16(30-2)10(14-8-17(22)26-25-14)6-11(13)18(15)28(20(27)29)19-12(21)4-3-5-23-19/h3-7,9,14,17,25-26H,8,22H2,1-2H3
InChIKeyHNLODVRHQQXHDH-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.24
Rot. Bonds3

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

8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 154584276) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID154584276
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1CC(N)NN1)n(-c1ncccc1F)c(=O)n3C
InChIInChI=1S/C20H20FN7O2/c1-27-15-9-24-13-7-16(30-2)10(14-8-17(22)26-25-14)6-11(13)18(15)28(20(27)29)19-12(21)4-3-5-23-19/h3-7,9,14,17,25-26H,8,22H2,1-2H3
InChIKeyHNLODVRHQQXHDH-UHFFFAOYSA-N
XLogP1.24
TPSA112.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 154584276) is 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1C1CC(N)NN1)n(-c1ncccc1F)c(=O)n3C.
What is the InChIKey of 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HNLODVRHQQXHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-27-15-9-24-13-7-16(30-2)10(14-8-17(22)26-25-14)6-11(13)18(15)28(20(27)29)19-12(21)4-3-5-23-19/h3-7,9,14,17,25-26H,8,22H2,1-2H3.
What are the key properties of 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 409.43 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-aminopyrazolidin-3-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 154584276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).