4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C16H12N4O2 — CID 58171731

IUPAC4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNc1ccc(Oc2ccnc3c2CC(=O)N3)c2cccnc12
InChIInChI=1S/C16H12N4O2/c17-11-3-4-12(9-2-1-6-18-15(9)11)22-13-5-7-19-16-10(13)8-14(21)20-16/h1-7H,8,17H2,(H,19,20,21)
InChIKeyQOVVDSCOVJSMGH-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.50
Rot. Bonds2

About 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 58171731) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID58171731
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNc1ccc(Oc2ccnc3c2CC(=O)N3)c2cccnc12
InChIInChI=1S/C16H12N4O2/c17-11-3-4-12(9-2-1-6-18-15(9)11)22-13-5-7-19-16-10(13)8-14(21)20-16/h1-7H,8,17H2,(H,19,20,21)
InChIKeyQOVVDSCOVJSMGH-UHFFFAOYSA-N
XLogP2.50
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

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Related Compounds

5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155586354
ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione
CID 123536143
4-quinolin-8-yloxyquinolin-8-amine
CID 130319854
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525609
3-(8-aminoquinolin-5-yl)oxybenzamide
CID 43449647

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 58171731) is 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Nc1ccc(Oc2ccnc3c2CC(=O)N3)c2cccnc12.
What is the InChIKey of 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is QOVVDSCOVJSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-11-3-4-12(9-2-1-6-18-15(9)11)22-13-5-7-19-16-10(13)8-14(21)20-16/h1-7H,8,17H2,(H,19,20,21).
What are the key properties of 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 292.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 58171731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).