8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one

C20H17FN4O2 — CID 123853510

IUPAC8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOC2)c2c3cc(-c4ccc(F)nc4)ccc3ncc21
InChIInChI=1S/C20H17FN4O2/c1-24-17-10-22-16-4-2-12(13-3-5-18(21)23-9-13)8-15(16)19(17)25(20(24)26)14-6-7-27-11-14/h2-5,8-10,14H,6-7,11H2,1H3
InChIKeyZLGUTKQQPMBCGK-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.05
Rot. Bonds2

About 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one

8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 123853510) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID123853510
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCOC2)c2c3cc(-c4ccc(F)nc4)ccc3ncc21
InChIInChI=1S/C20H17FN4O2/c1-24-17-10-22-16-4-2-12(13-3-5-18(21)23-9-13)8-15(16)19(17)25(20(24)26)14-6-7-27-11-14/h2-5,8-10,14H,6-7,11H2,1H3
InChIKeyZLGUTKQQPMBCGK-UHFFFAOYSA-N
XLogP3.05
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
8-[6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406066
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 138490581
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129120531
8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406080
N,N-dimethyl-3-[[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine oxide
CID 131986481
8-(2-fluoro-6-nonoxy-3-pyridinyl)-3-methyl-1-(oxan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 134377641
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129104509
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 145365340
8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144847191
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 167528089

Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one (CID 123853510) is 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCOC2)c2c3cc(-c4ccc(F)nc4)ccc3ncc21.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is ZLGUTKQQPMBCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-24-17-10-22-16-4-2-12(13-3-5-18(21)23-9-13)8-15(16)19(17)25(20(24)26)14-6-7-27-11-14/h2-5,8-10,14H,6-7,11H2,1H3.
What are the key properties of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one?
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 364.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 123853510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).