7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C26H37N5O3 — CID 15005614

IUPAC7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESCCCC(CCC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C26H37N5O3/c1-3-6-19(7-4-2)18-30-11-13-31(14-12-30)24(32)8-5-15-34-21-9-10-22-20(16-21)17-23-25(27-22)29-26(33)28-23/h9-10,16-17,19H,3-8,11-15,18H2,1-2H3,(H2,27,28,29,33)
InChIKeyJJJXUOUQDVSTMK-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.92
Rot. Bonds11

About 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005614) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005614
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESCCCC(CCC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C26H37N5O3/c1-3-6-19(7-4-2)18-30-11-13-31(14-12-30)24(32)8-5-15-34-21-9-10-22-20(16-21)17-23-25(27-22)29-26(33)28-23/h9-10,16-17,19H,3-8,11-15,18H2,1-2H3,(H2,27,28,29,33)
InChIKeyJJJXUOUQDVSTMK-UHFFFAOYSA-N
XLogP3.92
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005614) is 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is CCCC(CCC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1.
What is the InChIKey of 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is JJJXUOUQDVSTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-3-6-19(7-4-2)18-30-11-13-31(14-12-30)24(32)8-5-15-34-21-9-10-22-20(16-21)17-23-25(27-22)29-26(33)28-23/h9-10,16-17,19H,3-8,11-15,18H2,1-2H3,(H2,27,28,29,33).
What are the key properties of 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 467.61 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-oxo-4-[4-(2-propylpentyl)piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).