1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one

C21H21N3O — CID 3077022

IUPAC1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21
InChIInChI=1S/C21H21N3O/c1-2-3-13-24-18-12-8-7-11-17(18)20-19(21(24)25)22-15-23(20)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3
InChIKeyNQLPXGPQVKGCPR-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.20
Rot. Bonds5

About 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one

1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one (PubChem CID 3077022) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
PubChem CID3077022
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21
InChIInChI=1S/C21H21N3O/c1-2-3-13-24-18-12-8-7-11-17(18)20-19(21(24)25)22-15-23(20)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3
InChIKeyNQLPXGPQVKGCPR-UHFFFAOYSA-N
XLogP4.20
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one (CID 3077022) is 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one is CCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21.
What is the InChIKey of 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one?
The InChIKey is NQLPXGPQVKGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-3-13-24-18-12-8-7-11-17(18)20-19(21(24)25)22-15-23(20)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3.
What are the key properties of 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one?
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one has a molecular weight of 331.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3077022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).