5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid

C15H15N3O3 — CID 15005604

IUPAC5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
InChIInChI=1S/C15H15N3O3/c19-13(20)4-2-1-3-9-5-6-11-10(7-9)8-12-14(16-11)18-15(21)17-12/h5-8H,1-4H2,(H,19,20)(H2,16,17,18,21)
InChIKeySBROBXGDSYTTES-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.20
Rot. Bonds5

About 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid

5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid (PubChem CID 15005604) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid
PubChem CID15005604
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
InChIInChI=1S/C15H15N3O3/c19-13(20)4-2-1-3-9-5-6-11-10(7-9)8-12-14(16-11)18-15(21)17-12/h5-8H,1-4H2,(H,19,20)(H2,16,17,18,21)
InChIKeySBROBXGDSYTTES-UHFFFAOYSA-N
XLogP2.20
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid?
The IUPAC name of 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid (CID 15005604) is 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid.
What is the SMILES notation for 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid?
The canonical SMILES for 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid is O=C(O)CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1.
What is the InChIKey of 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid?
The InChIKey is SBROBXGDSYTTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13(20)4-2-1-3-9-5-6-11-10(7-9)8-12-14(16-11)18-15(21)17-12/h5-8H,1-4H2,(H,19,20)(H2,16,17,18,21).
What are the key properties of 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid?
5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanoic acid is sourced from PubChem (CID 15005604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).