1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C25H26N6O3 — CID 59619881

IUPAC1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC
InChIInChI=1S/C25H26N6O3/c1-6-34-14-20-23(33-5)10-17(11-26-20)16-7-8-19-18(9-16)24-21(12-27-19)30(4)25(32)31(24)22-13-29(3)28-15(22)2/h7-13H,6,14H2,1-5H3
InChIKeyKHPHLLOPFDANKQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.53
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619881) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619881
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCOCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC
InChIInChI=1S/C25H26N6O3/c1-6-34-14-20-23(33-5)10-17(11-26-20)16-7-8-19-18(9-16)24-21(12-27-19)30(4)25(32)31(24)22-13-29(3)28-15(22)2/h7-13H,6,14H2,1-5H3
InChIKeyKHPHLLOPFDANKQ-UHFFFAOYSA-N
XLogP3.53
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619881) is 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is CCOCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1OC.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is KHPHLLOPFDANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-6-34-14-20-23(33-5)10-17(11-26-20)16-7-8-19-18(9-16)24-21(12-27-19)30(4)25(32)31(24)22-13-29(3)28-15(22)2/h7-13H,6,14H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 458.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(ethoxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).