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

C22H23N7O3 — CID 15005637

IUPAC7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H23N7O3/c30-19(28-8-10-29(11-9-28)21-23-6-2-7-24-21)3-1-12-32-16-4-5-17-15(13-16)14-18-20(25-17)27-22(31)26-18/h2,4-7,13-14H,1,3,8-12H2,(H2,25,26,27,31)
InChIKeyGPIHWBUAHFKNRT-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.70
Rot. Bonds6

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

7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005637) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005637
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H23N7O3/c30-19(28-8-10-29(11-9-28)21-23-6-2-7-24-21)3-1-12-32-16-4-5-17-15(13-16)14-18-20(25-17)27-22(31)26-18/h2,4-7,13-14H,1,3,8-12H2,(H2,25,26,27,31)
InChIKeyGPIHWBUAHFKNRT-UHFFFAOYSA-N
XLogP1.70
TPSA120.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281011
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
6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174733
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764163
4-(2-cyclohexylethyl)-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70092553
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
4-(2-chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 49316833
4-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 127115943
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 8007506
3-(4-methoxyanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030451

Frequently Asked Questions

What is the IUPAC name of 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005637) is 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is GPIHWBUAHFKNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c30-19(28-8-10-29(11-9-28)21-23-6-2-7-24-21)3-1-12-32-16-4-5-17-15(13-16)14-18-20(25-17)27-22(31)26-18/h2,4-7,13-14H,1,3,8-12H2,(H2,25,26,27,31).
What are the key properties of 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 433.47 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).