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

C18H21N5O3 — CID 15005642

IUPAC7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCNCC1
InChIInChI=1S/C18H21N5O3/c24-16(23-7-5-19-6-8-23)2-1-9-26-13-3-4-14-12(10-13)11-15-17(20-14)22-18(25)21-15/h3-4,10-11,19H,1-2,5-9H2,(H2,20,21,22,25)
InChIKeyNULRBIIQPDEOIF-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.00
Rot. Bonds5

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

7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005642) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005642
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCNCC1
InChIInChI=1S/C18H21N5O3/c24-16(23-7-5-19-6-8-23)2-1-9-26-13-3-4-14-12(10-13)11-15-17(20-14)22-18(25)21-15/h3-4,10-11,19H,1-2,5-9H2,(H2,20,21,22,25)
InChIKeyNULRBIIQPDEOIF-UHFFFAOYSA-N
XLogP1.00
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005642) is 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCNCC1.
What is the InChIKey of 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is NULRBIIQPDEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-16(23-7-5-19-6-8-23)2-1-9-26-13-3-4-14-12(10-13)11-15-17(20-14)22-18(25)21-15/h3-4,10-11,19H,1-2,5-9H2,(H2,20,21,22,25).
What are the key properties of 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 355.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-oxo-4-piperazin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).