8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C23H17F3N6O2 — CID 57344810

IUPAC8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4c32)cn1
InChIInChI=1S/C23H17F3N6O2/c1-31-18-11-28-17-5-3-12(13-8-16(23(24,25)26)21(27)30-9-13)7-15(17)20(18)32(22(31)33)14-4-6-19(34-2)29-10-14/h3-11H,1-2H3,(H2,27,30)
InChIKeyXGHAXAVWAZHJQR-UHFFFAOYSA-N
MW466.42 g/mol
LogP3.94
Rot. Bonds3

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

8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 57344810) has the molecular formula C23H17F3N6O2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID57344810
Molecular FormulaC23H17F3N6O2
Molecular Weight466.42 g/mol
Exact Mass466.14
IUPAC Name8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4c32)cn1
InChIInChI=1S/C23H17F3N6O2/c1-31-18-11-28-17-5-3-12(13-8-16(23(24,25)26)21(27)30-9-13)7-15(17)20(18)32(22(31)33)14-4-6-19(34-2)29-10-14/h3-11H,1-2H3,(H2,27,30)
InChIKeyXGHAXAVWAZHJQR-UHFFFAOYSA-N
XLogP3.94
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 57344810) is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4c32)cn1.
What is the InChIKey of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is XGHAXAVWAZHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2/c1-31-18-11-28-17-5-3-12(13-8-16(23(24,25)26)21(27)30-9-13)7-15(17)20(18)32(22(31)33)14-4-6-19(34-2)29-10-14/h3-11H,1-2H3,(H2,27,30).
What are the key properties of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 466.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 57344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).