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

C24H18F3N5O — CID 127046721

IUPAC8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21
InChIInChI=1S/C24H18F3N5O/c1-2-31-20-13-29-19-8-6-14(15-7-9-21(28)30-12-15)10-18(19)22(20)32(23(31)33)17-5-3-4-16(11-17)24(25,26)27/h3-13H,2H2,1H3,(H2,28,30)
InChIKeyRJHCZFTZEDNSQL-UHFFFAOYSA-N
MW449.44 g/mol
LogP5.02
Rot. Bonds3

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

8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 127046721) has the molecular formula C24H18F3N5O and a molecular weight of 449.44 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID127046721
Molecular FormulaC24H18F3N5O
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21
InChIInChI=1S/C24H18F3N5O/c1-2-31-20-13-29-19-8-6-14(15-7-9-21(28)30-12-15)10-18(19)22(20)32(23(31)33)17-5-3-4-16(11-17)24(25,26)27/h3-13H,2H2,1H3,(H2,28,30)
InChIKeyRJHCZFTZEDNSQL-UHFFFAOYSA-N
XLogP5.02
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[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 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 127046721) is 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is CCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(N)nc4)ccc3ncc21.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is RJHCZFTZEDNSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O/c1-2-31-20-13-29-19-8-6-14(15-7-9-21(28)30-12-15)10-18(19)22(20)32(23(31)33)17-5-3-4-16(11-17)24(25,26)27/h3-13H,2H2,1H3,(H2,28,30).
What are the key properties of 8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-(6-amino-3-pyridinyl)-3-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 449.44 g/mol, XLogP of 5.02, 3 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-ethyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127046721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).