5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one

C17H19N3O2 — CID 3077212

IUPAC5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2c(ncn2CC(C)=O)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-3-4-9-20-14-8-6-5-7-13(14)15-16(17(20)22)19(11-18-15)10-12(2)21/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyVOZXIXLPADWIDQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.74
Rot. Bonds5

About 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one

5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one (PubChem CID 3077212) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one
PubChem CID3077212
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2c(ncn2CC(C)=O)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-3-4-9-20-14-8-6-5-7-13(14)15-16(17(20)22)19(11-18-15)10-12(2)21/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyVOZXIXLPADWIDQ-UHFFFAOYSA-N
XLogP2.74
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one (CID 3077212) is 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one is CCCCn1c(=O)c2c(ncn2CC(C)=O)c2ccccc21.
What is the InChIKey of 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one?
The InChIKey is VOZXIXLPADWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-4-9-20-14-8-6-5-7-13(14)15-16(17(20)22)19(11-18-15)10-12(2)21/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one?
5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2-oxopropyl)imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3077212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).