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

C24H33N5O3 — CID 15005613

IUPAC7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESCCC(CC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-17(4-2)16-28-9-11-29(12-10-28)22(30)6-5-13-32-19-7-8-20-18(14-19)15-21-23(25-20)27-24(31)26-21/h7-8,14-15,17H,3-6,9-13,16H2,1-2H3,(H2,25,26,27,31)
InChIKeyYUSBOZBDPVTFGR-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.14
Rot. Bonds9

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

7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005613) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005613
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESCCC(CC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-17(4-2)16-28-9-11-29(12-10-28)22(30)6-5-13-32-19-7-8-20-18(14-19)15-21-23(25-20)27-24(31)26-21/h7-8,14-15,17H,3-6,9-13,16H2,1-2H3,(H2,25,26,27,31)
InChIKeyYUSBOZBDPVTFGR-UHFFFAOYSA-N
XLogP3.14
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.14
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-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005613) is 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is CCC(CC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1.
What is the InChIKey of 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is YUSBOZBDPVTFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-3-17(4-2)16-28-9-11-29(12-10-28)22(30)6-5-13-32-19-7-8-20-18(14-19)15-21-23(25-20)27-24(31)26-21/h7-8,14-15,17H,3-6,9-13,16H2,1-2H3,(H2,25,26,27,31).
What are the key properties of 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 439.56 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).