7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C19H22N4O3 — CID 14281011

IUPAC7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCCCC1
InChIInChI=1S/C19H22N4O3/c24-17(23-8-2-1-3-9-23)5-4-10-26-14-6-7-15-13(11-14)12-16-18(20-15)22-19(25)21-16/h6-7,11-12H,1-5,8-10H2,(H2,20,21,22,25)
InChIKeyHCLMLIZWYIZMGK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.58
Rot. Bonds5

About 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 14281011) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID14281011
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCCCC1
InChIInChI=1S/C19H22N4O3/c24-17(23-8-2-1-3-9-23)5-4-10-26-14-6-7-15-13(11-14)12-16-18(20-15)22-19(25)21-16/h6-7,11-12H,1-5,8-10H2,(H2,20,21,22,25)
InChIKeyHCLMLIZWYIZMGK-UHFFFAOYSA-N
XLogP2.58
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005637
ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
CID 15005639
7-[4-oxo-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005625
2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate
CID 21289996
4-(2-cyclohexylethyl)-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70092553
7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281027
ethanol;4-[(4-fluorophenyl)methyl]-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70093461
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880240
ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 14981443
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
7-[[2-[4-(cyclohexylmethyl)piperazin-1-yl]-2-oxoethoxy]iminomethyl]-1,3-dihydroimidazo[4,5-b]quinolin-2-one;hydrate
CID 173331434
4-(3-bromophenoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 112760327

Frequently Asked Questions

What is the IUPAC name of 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 14281011) is 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCCCC1.
What is the InChIKey of 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is HCLMLIZWYIZMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17(23-8-2-1-3-9-23)5-4-10-26-14-6-7-15-13(11-14)12-16-18(20-15)22-19(25)21-16/h6-7,11-12H,1-5,8-10H2,(H2,20,21,22,25).
What are the key properties of 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 14281011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).