8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C24H24N6O2 — CID 59619648

IUPAC8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCOc1cncc(-c2ccc3ncc4c(c3c2)n(-c2c(C)nn(C)c2C)c(=O)n4C)c1
InChIInChI=1S/C24H24N6O2/c1-6-32-18-9-17(11-25-12-18)16-7-8-20-19(10-16)23-21(13-26-20)28(4)24(31)30(23)22-14(2)27-29(5)15(22)3/h7-13H,6H2,1-5H3
InChIKeyYEJGUNRDHCURNS-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.69
Rot. Bonds4

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

8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59619648) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID59619648
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCCOc1cncc(-c2ccc3ncc4c(c3c2)n(-c2c(C)nn(C)c2C)c(=O)n4C)c1
InChIInChI=1S/C24H24N6O2/c1-6-32-18-9-17(11-25-12-18)16-7-8-20-19(10-16)23-21(13-26-20)28(4)24(31)30(23)22-14(2)27-29(5)15(22)3/h7-13H,6H2,1-5H3
InChIKeyYEJGUNRDHCURNS-UHFFFAOYSA-N
XLogP3.69
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 59619648) is 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is CCOc1cncc(-c2ccc3ncc4c(c3c2)n(-c2c(C)nn(C)c2C)c(=O)n4C)c1.
What is the InChIKey of 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is YEJGUNRDHCURNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-6-32-18-9-17(11-25-12-18)16-7-8-20-19(10-16)23-21(13-26-20)28(4)24(31)30(23)22-14(2)27-29(5)15(22)3/h7-13H,6H2,1-5H3.
What are the key properties of 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 428.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).