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

C23H21FN6O2 — CID 59619767

IUPAC1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OCCF)c4)cc3c21
InChIInChI=1S/C23H21FN6O2/c1-14-21(13-28(2)27-14)30-22-18-9-15(16-8-17(11-25-10-16)32-7-6-24)4-5-19(18)26-12-20(22)29(3)23(30)31/h4-5,8-13H,6-7H2,1-3H3
InChIKeyBYGUAZWKRLEAIB-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.33
Rot. Bonds5

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

1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619767) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619767
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OCCF)c4)cc3c21
InChIInChI=1S/C23H21FN6O2/c1-14-21(13-28(2)27-14)30-22-18-9-15(16-8-17(11-25-10-16)32-7-6-24)4-5-19(18)26-12-20(22)29(3)23(30)31/h4-5,8-13H,6-7H2,1-3H3
InChIKeyBYGUAZWKRLEAIB-UHFFFAOYSA-N
XLogP3.33
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619767) is 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(OCCF)c4)cc3c21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is BYGUAZWKRLEAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-14-21(13-28(2)27-14)30-22-18-9-15(16-8-17(11-25-10-16)32-7-6-24)4-5-19(18)26-12-20(22)29(3)23(30)31/h4-5,8-13H,6-7H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 432.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).