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

C26H17F3N6O — CID 123889208

IUPAC8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)[nH]c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3nc(-c3ccc4ncccc4c3)c21
InChIInChI=1S/C26H17F3N6O/c1-35-23-21(15-5-6-19-14(9-15)3-2-8-31-19)33-20-7-4-13(10-17(20)22(23)34-25(35)36)16-11-18(26(27,28)29)24(30)32-12-16/h2-12H,1H3,(H2,30,32)(H,34,36)
InChIKeyIFMKJRJTCSJLSX-UHFFFAOYSA-N
MW486.46 g/mol
LogP5.29
Rot. Bonds2

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

8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 123889208) has the molecular formula C26H17F3N6O and a molecular weight of 486.46 g/mol. Its IUPAC name is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID123889208
Molecular FormulaC26H17F3N6O
Molecular Weight486.46 g/mol
Exact Mass486.14
IUPAC Name8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)[nH]c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3nc(-c3ccc4ncccc4c3)c21
InChIInChI=1S/C26H17F3N6O/c1-35-23-21(15-5-6-19-14(9-15)3-2-8-31-19)33-20-7-4-13(10-17(20)22(23)34-25(35)36)16-11-18(26(27,28)29)24(30)32-12-16/h2-12H,1H3,(H2,30,32)(H,34,36)
InChIKeyIFMKJRJTCSJLSX-UHFFFAOYSA-N
XLogP5.29
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one (CID 123889208) is 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one is Cn1c(=O)[nH]c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3nc(-c3ccc4ncccc4c3)c21.
What is the InChIKey of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is IFMKJRJTCSJLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N6O/c1-35-23-21(15-5-6-19-14(9-15)3-2-8-31-19)33-20-7-4-13(10-17(20)22(23)34-25(35)36)16-11-18(26(27,28)29)24(30)32-12-16/h2-12H,1H3,(H2,30,32)(H,34,36).
What are the key properties of 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one?
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 486.46 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 123889208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).