8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one

C23H19F3N6O2 — CID 59619707

IUPAC8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one
SMILESCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cc(C(F)(F)F)nn2C)c(=O)n4C)cn1
InChIInChI=1S/C23H19F3N6O2/c1-4-34-19-8-6-14(11-28-19)13-5-7-16-15(9-13)21-17(12-27-16)30(2)22(33)32(21)20-10-18(23(24,25)26)29-31(20)3/h5-12H,4H2,1-3H3
InChIKeyBAQMZNNBECLZGD-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.09
Rot. Bonds4

About 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one

8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 59619707) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID59619707
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one
SMILESCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cc(C(F)(F)F)nn2C)c(=O)n4C)cn1
InChIInChI=1S/C23H19F3N6O2/c1-4-34-19-8-6-14(11-28-19)13-5-7-16-15(9-13)21-17(12-27-16)30(2)22(33)32(21)20-10-18(23(24,25)26)29-31(20)3/h5-12H,4H2,1-3H3
InChIKeyBAQMZNNBECLZGD-UHFFFAOYSA-N
XLogP4.09
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one (CID 59619707) is 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one is CCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cc(C(F)(F)F)nn2C)c(=O)n4C)cn1.
What is the InChIKey of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is BAQMZNNBECLZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-4-34-19-8-6-14(11-28-19)13-5-7-16-15(9-13)21-17(12-27-16)30(2)22(33)32(21)20-10-18(23(24,25)26)29-31(20)3/h5-12H,4H2,1-3H3.
What are the key properties of 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one?
8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 468.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethoxy-3-pyridinyl)-3-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).