3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium

C25H31FN5O3+ — CID 126710630

IUPAC3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium
SMILESCO[N+](C)(C)CCCOc1ccc(-c2cc3c(cc2F)ncc2c3n(C(C)C)c(=O)n2C)cn1
InChIInChI=1S/C25H31FN5O3/c1-16(2)30-24-19-12-18(20(26)13-21(19)27-15-22(24)29(3)25(30)32)17-8-9-23(28-14-17)34-11-7-10-31(4,5)33-6/h8-9,12-16H,7,10-11H2,1-6H3/q+1
InChIKeyHFZGDNNBJXLHDP-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.08
Rot. Bonds8

About 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium

3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium (PubChem CID 126710630) has the molecular formula C25H31FN5O3+ and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium.

Molecular Properties

Compound Name3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium
PubChem CID126710630
Molecular FormulaC25H31FN5O3+
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium
SMILESCO[N+](C)(C)CCCOc1ccc(-c2cc3c(cc2F)ncc2c3n(C(C)C)c(=O)n2C)cn1
InChIInChI=1S/C25H31FN5O3/c1-16(2)30-24-19-12-18(20(26)13-21(19)27-15-22(24)29(3)25(30)32)17-8-9-23(28-14-17)34-11-7-10-31(4,5)33-6/h8-9,12-16H,7,10-11H2,1-6H3/q+1
InChIKeyHFZGDNNBJXLHDP-UHFFFAOYSA-N
XLogP4.08
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium with MolForge

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Related Compounds

7-fluoro-3-methyl-8-[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 151524519
7-fluoro-1-(3-methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118523351
7-fluoro-3-methyl-8-[6-[3-(oxan-2-yloxy)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530799
3,7-dimethyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 138494910
8-[6-[2-(3,3-dimethylpyrrolidin-1-yl)ethoxymethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648158
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648365
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-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 163706065
3-cyclopropyl-7-fluoro-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one
CID 166645391
1-(3-amino-1-methyliminobut-2-en-2-yl)-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 147167393
8-[6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530575
8-bromo-7-fluoro-1,3-dimethyl-9-(4-methylpentoxy)imidazo[4,5-c]quinolin-2-one
CID 170106120

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium?
The IUPAC name of 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium (CID 126710630) is 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium.
What is the SMILES notation for 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium?
The canonical SMILES for 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium is CO[N+](C)(C)CCCOc1ccc(-c2cc3c(cc2F)ncc2c3n(C(C)C)c(=O)n2C)cn1.
What is the InChIKey of 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium?
The InChIKey is HFZGDNNBJXLHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN5O3/c1-16(2)30-24-19-12-18(20(26)13-21(19)27-15-22(24)29(3)25(30)32)17-8-9-23(28-14-17)34-11-7-10-31(4,5)33-6/h8-9,12-16H,7,10-11H2,1-6H3/q+1.
What are the key properties of 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium?
3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium has a molecular weight of 468.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(7-fluoro-3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]quinolin-8-yl)-2-pyridinyl]oxy]propyl-methoxy-dimethylazanium is sourced from PubChem (CID 126710630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).