5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid

C16H16ClF3N4O3 — CID 15986368

IUPAC5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c3cc(Cl)ccc3n(CCCN)c(=O)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15ClN4O.C2HF3O2/c1-18-8-17-12-10-7-9(15)3-4-11(10)19(6-2-5-16)14(20)13(12)18;3-2(4,5)1(6)7/h3-4,7-8H,2,5-6,16H2,1H3;(H,6,7)
InChIKeyWGFLLAIJFCACLG-UHFFFAOYSA-N
MW404.78 g/mol
LogP2.52
Rot. Bonds3

About 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid

5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 15986368) has the molecular formula C16H16ClF3N4O3 and a molecular weight of 404.78 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid
PubChem CID15986368
Molecular FormulaC16H16ClF3N4O3
Molecular Weight404.78 g/mol
Exact Mass404.09
IUPAC Name5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid
SMILESCn1cnc2c3cc(Cl)ccc3n(CCCN)c(=O)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H15ClN4O.C2HF3O2/c1-18-8-17-12-10-7-9(15)3-4-11(10)19(6-2-5-16)14(20)13(12)18;3-2(4,5)1(6)7/h3-4,7-8H,2,5-6,16H2,1H3;(H,6,7)
InChIKeyWGFLLAIJFCACLG-UHFFFAOYSA-N
XLogP2.52
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid 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 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid (CID 15986368) is 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid is Cn1cnc2c3cc(Cl)ccc3n(CCCN)c(=O)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is WGFLLAIJFCACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O.C2HF3O2/c1-18-8-17-12-10-7-9(15)3-4-11(10)19(6-2-5-16)14(20)13(12)18;3-2(4,5)1(6)7/h3-4,7-8H,2,5-6,16H2,1H3;(H,6,7).
What are the key properties of 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid?
5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 404.78 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-8-chloro-3-methylimidazo[4,5-c]quinolin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 15986368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).