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

C23H24N6O3 — CID 15005638

IUPAC7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N6O3/c30-21(29-11-9-28(10-12-29)20-4-1-2-8-24-20)5-3-13-32-17-6-7-18-16(14-17)15-19-22(25-18)27-23(31)26-19/h1-2,4,6-8,14-15H,3,5,9-13H2,(H2,25,26,27,31)
InChIKeyAHAMWNMLBCJHPT-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.31
Rot. Bonds6

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

7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005638) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005638
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N6O3/c30-21(29-11-9-28(10-12-29)20-4-1-2-8-24-20)5-3-13-32-17-6-7-18-16(14-17)15-19-22(25-18)27-23(31)26-19/h1-2,4,6-8,14-15H,3,5,9-13H2,(H2,25,26,27,31)
InChIKeyAHAMWNMLBCJHPT-UHFFFAOYSA-N
XLogP2.31
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Atevirdine
CID 60848
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
7-Ethoxy-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 13936989
Bmy 43351
CID 5487415
3-[5-[2-(5,6,7,8-Tetrahydro[1,8]naphthyridin-2-yl)ethoxy]indol-1-yl]-3-(3-pyridyl)propionic acid
CID 9846189
3-(4-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 10116182
3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 10181815
3-Pyridin-4-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 10181868
3-(3-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 10183763
3-Quinolin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 10184998
3-(4-Fluoro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid
CID 10204795
{Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyryl]-amino}-acetic acid methyl ester
CID 14281006

Frequently Asked Questions

What is the IUPAC name of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005638) is 7-[4-oxo-4-(4-pyridin-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-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is AHAMWNMLBCJHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-21(29-11-9-28(10-12-29)20-4-1-2-8-24-20)5-3-13-32-17-6-7-18-16(14-17)15-19-22(25-18)27-23(31)26-19/h1-2,4,6-8,14-15H,3,5,9-13H2,(H2,25,26,27,31).
What are the key properties of 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 432.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).