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

C23H16F3N5O — CID 127045867

IUPAC8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(C(F)(F)F)cc2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21
InChIInChI=1S/C23H16F3N5O/c1-30-19-12-28-18-8-2-13(14-3-9-20(27)29-11-14)10-17(18)21(19)31(22(30)32)16-6-4-15(5-7-16)23(24,25)26/h2-12H,1H3,(H2,27,29)
InChIKeyOYRBFPCKMWJURN-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.54
Rot. Bonds2

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

8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 127045867) has the molecular formula C23H16F3N5O and a molecular weight of 435.41 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID127045867
Molecular FormulaC23H16F3N5O
Molecular Weight435.41 g/mol
Exact Mass435.13
IUPAC Name8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(C(F)(F)F)cc2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21
InChIInChI=1S/C23H16F3N5O/c1-30-19-12-28-18-8-2-13(14-3-9-20(27)29-11-14)10-17(18)21(19)31(22(30)32)16-6-4-15(5-7-16)23(24,25)26/h2-12H,1H3,(H2,27,29)
InChIKeyOYRBFPCKMWJURN-UHFFFAOYSA-N
XLogP4.54
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 127045867) is 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2ccc(C(F)(F)F)cc2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is OYRBFPCKMWJURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O/c1-30-19-12-28-18-8-2-13(14-3-9-20(27)29-11-14)10-17(18)21(19)31(22(30)32)16-6-4-15(5-7-16)23(24,25)26/h2-12H,1H3,(H2,27,29).
What are the key properties of 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 435.41 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127045867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).