5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione

C15H17N3O2 — CID 3077037

IUPAC5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione
SMILESCCCCn1c(=O)c2[nH]c(=O)n(C)c2c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChIKeySSUNWRQEYFCYRL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.98
Rot. Bonds3

About 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione

5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione (PubChem CID 3077037) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione.

Molecular Properties

Compound Name5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione
PubChem CID3077037
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione
SMILESCCCCn1c(=O)c2[nH]c(=O)n(C)c2c2ccccc21
InChIInChI=1S/C15H17N3O2/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChIKeySSUNWRQEYFCYRL-UHFFFAOYSA-N
XLogP1.98
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione?
The IUPAC name of 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione (CID 3077037) is 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione.
What is the SMILES notation for 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione?
The canonical SMILES for 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione is CCCCn1c(=O)c2[nH]c(=O)n(C)c2c2ccccc21.
What is the InChIKey of 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione?
The InChIKey is SSUNWRQEYFCYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20).
What are the key properties of 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione?
5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione has a molecular weight of 271.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione is sourced from PubChem (CID 3077037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).