7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C26H35N5O3 — CID 15005619

IUPAC7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C26H35N5O3/c32-24(31-14-12-30(13-15-31)11-10-19-5-2-1-3-6-19)7-4-16-34-21-8-9-22-20(17-21)18-23-25(27-22)29-26(33)28-23/h8-9,17-19H,1-7,10-16H2,(H2,27,28,29,33)
InChIKeyOOCGWSZDANISNS-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.68
Rot. Bonds8

About 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005619) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005619
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C26H35N5O3/c32-24(31-14-12-30(13-15-31)11-10-19-5-2-1-3-6-19)7-4-16-34-21-8-9-22-20(17-21)18-23-25(27-22)29-26(33)28-23/h8-9,17-19H,1-7,10-16H2,(H2,27,28,29,33)
InChIKeyOOCGWSZDANISNS-UHFFFAOYSA-N
XLogP3.68
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.68
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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Launch Full Analysis

Related Compounds

7-Ethoxy-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 13936989
Bmy 43351
CID 5487415
{Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyryl]-amino}-acetic acid methyl ester
CID 14281006
5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-pentanoic acid cycloheptyl-methyl-amide
CID 14281026
Ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 14981439
7-[4-[4-(2-Methylpropyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005612
7-[4-[4-(2-Ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005613
7-[4-[4-(Cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005615
7-[4-(4-Cycloheptylpiperazin-1-yl)-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005618
7-[4-(4-Benzylpiperazin-1-yl)-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005621
1-[4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yloxy)-1-oxobutyl]-4-(2-thienylmethyl)piperazine
CID 15005630
1-[4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yloxy)-1-oxobutyl]-4-(3-thienylmethyl)piperazine
CID 15005631

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005619) is 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CCC2CCCCC2)CC1.
What is the InChIKey of 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is OOCGWSZDANISNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c32-24(31-14-12-30(13-15-31)11-10-19-5-2-1-3-6-19)7-4-16-34-21-8-9-22-20(17-21)18-23-25(27-22)29-26(33)28-23/h8-9,17-19H,1-7,10-16H2,(H2,27,28,29,33).
What are the key properties of 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 465.60 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).