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

C26H25N5O4 — CID 59612987

IUPAC8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC
InChIInChI=1S/C26H25N5O4/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5/h6-14,25H,1-5H3
InChIKeyAFFVWVJRJQSXCG-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.94
Rot. Bonds6

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

8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59612987) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
PubChem CID59612987
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC
InChIInChI=1S/C26H25N5O4/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5/h6-14,25H,1-5H3
InChIKeyAFFVWVJRJQSXCG-UHFFFAOYSA-N
XLogP3.94
TPSA93.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one (CID 59612987) is 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is COc1cc(-c2ccc3ncc4c(c3c2)n(-c2cccnc2C)c(=O)n4C)cnc1C(OC)OC.
What is the InChIKey of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is AFFVWVJRJQSXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-15-20(7-6-10-27-15)31-24-18-11-16(8-9-19(18)28-14-21(24)30(2)26(31)32)17-12-22(33-3)23(29-13-17)25(34-4)35-5/h6-14,25H,1-5H3.
What are the key properties of 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one?
8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 471.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethoxymethyl)-5-methoxy-3-pyridinyl]-3-methyl-1-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).