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

C20H19N3O — CID 10448523

IUPAC1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one
SMILESCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21
InChIInChI=1S/C20H19N3O/c1-2-12-23-17-11-7-6-10-16(17)19-18(20(23)24)21-14-22(19)13-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3
InChIKeyJCCSUWQSYXUULJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.81
Rot. Bonds4

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

1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one (PubChem CID 10448523) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one
PubChem CID10448523
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one
SMILESCCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21
InChIInChI=1S/C20H19N3O/c1-2-12-23-17-11-7-6-10-16(17)19-18(20(23)24)21-14-22(19)13-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3
InChIKeyJCCSUWQSYXUULJ-UHFFFAOYSA-N
XLogP3.81
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one (CID 10448523) is 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one is CCCn1c(=O)c2ncn(Cc3ccccc3)c2c2ccccc21.
What is the InChIKey of 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one?
The InChIKey is JCCSUWQSYXUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-12-23-17-11-7-6-10-16(17)19-18(20(23)24)21-14-22(19)13-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3.
What are the key properties of 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one?
1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one has a molecular weight of 317.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-propylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 10448523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).