(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate

C17H19N3O2 — CID 90940848

IUPAC(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate
SMILESCCCC(=O)On1cnc2c(C(C)C)nc3ccccc3c21
InChIInChI=1S/C17H19N3O2/c1-4-7-14(21)22-20-10-18-16-15(11(2)3)19-13-9-6-5-8-12(13)17(16)20/h5-6,8-11H,4,7H2,1-3H3
InChIKeyHJTSYZXBBUVSDA-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.46
Rot. Bonds4

About (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate

(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate (PubChem CID 90940848) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate.

Molecular Properties

Compound Name(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate
PubChem CID90940848
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate
SMILESCCCC(=O)On1cnc2c(C(C)C)nc3ccccc3c21
InChIInChI=1S/C17H19N3O2/c1-4-7-14(21)22-20-10-18-16-15(11(2)3)19-13-9-6-5-8-12(13)17(16)20/h5-6,8-11H,4,7H2,1-3H3
InChIKeyHJTSYZXBBUVSDA-UHFFFAOYSA-N
XLogP3.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate?
The IUPAC name of (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate (CID 90940848) is (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate.
What is the SMILES notation for (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate?
The canonical SMILES for (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate is CCCC(=O)On1cnc2c(C(C)C)nc3ccccc3c21.
What is the InChIKey of (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate?
The InChIKey is HJTSYZXBBUVSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-7-14(21)22-20-10-18-16-15(11(2)3)19-13-9-6-5-8-12(13)17(16)20/h5-6,8-11H,4,7H2,1-3H3.
What are the key properties of (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate?
(4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate has a molecular weight of 297.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylimidazo[4,5-c]quinolin-1-yl) butanoate is sourced from PubChem (CID 90940848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).