8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one

C19H18N4O3 — CID 141319169

IUPAC8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCOCCOc1ccc(-c2ccc3ncc4c([nH]c(=O)n4C)c3c2)cn1
InChIInChI=1S/C19H18N4O3/c1-23-16-11-20-15-5-3-12(9-14(15)18(16)22-19(23)24)13-4-6-17(21-10-13)26-8-7-25-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)
InChIKeyFUUMZMQFERHSHL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.50
Rot. Bonds5

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

8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 141319169) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID141319169
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCOCCOc1ccc(-c2ccc3ncc4c([nH]c(=O)n4C)c3c2)cn1
InChIInChI=1S/C19H18N4O3/c1-23-16-11-20-15-5-3-12(9-14(15)18(16)22-19(23)24)13-4-6-17(21-10-13)26-8-7-25-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)
InChIKeyFUUMZMQFERHSHL-UHFFFAOYSA-N
XLogP2.50
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (CID 141319169) is 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is COCCOc1ccc(-c2ccc3ncc4c([nH]c(=O)n4C)c3c2)cn1.
What is the InChIKey of 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is FUUMZMQFERHSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-16-11-20-15-5-3-12(9-14(15)18(16)22-19(23)24)13-4-6-17(21-10-13)26-8-7-25-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,24).
What are the key properties of 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?
8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 141319169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).