9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C20H12N6O3 — CID 57258736

IUPAC9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=c1[nH]c2nc3ccccc3c(Oc3c4ccccc4nc4[nH]c(=O)[nH]c34)c2[nH]1
InChIInChI=1S/C20H12N6O3/c27-19-23-13-15(9-5-1-3-7-11(9)21-17(13)25-19)29-16-10-6-2-4-8-12(10)22-18-14(16)24-20(28)26-18/h1-8H,(H2,21,23,25,27)(H2,22,24,26,28)
InChIKeyNELBZWYIJFONRF-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.91
Rot. Bonds2

About 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 57258736) has the molecular formula C20H12N6O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID57258736
Molecular FormulaC20H12N6O3
Molecular Weight384.36 g/mol
Exact Mass384.10
IUPAC Name9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=c1[nH]c2nc3ccccc3c(Oc3c4ccccc4nc4[nH]c(=O)[nH]c34)c2[nH]1
InChIInChI=1S/C20H12N6O3/c27-19-23-13-15(9-5-1-3-7-11(9)21-17(13)25-19)29-16-10-6-2-4-8-12(10)22-18-14(16)24-20(28)26-18/h1-8H,(H2,21,23,25,27)(H2,22,24,26,28)
InChIKeyNELBZWYIJFONRF-UHFFFAOYSA-N
XLogP2.91
TPSA132.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one with MolForge

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Related Compounds

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CID 5372720
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CID 135465251
acridine;7,9-dihydro-3H-purine-2,6,8-trione
CID 174745524
8-phenyl-6-sulfanylidene-3,7-dihydropurin-2-one
CID 154295672
2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one
CID 59140862
7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 45140141
8-(phenoxymethyl)-3,7-dihydropurine-2,6-dione
CID 114402809
9-phenoxyacridine-1,4-dione
CID 102027445
2,6-bis(benzylsulfanyl)-7,9-dihydropurin-8-one
CID 135397847
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
acridin-9-yl hydrogen carbonate
CID 54493221

Frequently Asked Questions

What is the IUPAC name of 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 57258736) is 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=c1[nH]c2nc3ccccc3c(Oc3c4ccccc4nc4[nH]c(=O)[nH]c34)c2[nH]1.
What is the InChIKey of 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is NELBZWYIJFONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6O3/c27-19-23-13-15(9-5-1-3-7-11(9)21-17(13)25-19)29-16-10-6-2-4-8-12(10)22-18-14(16)24-20(28)26-18/h1-8H,(H2,21,23,25,27)(H2,22,24,26,28).
What are the key properties of 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 384.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 57258736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).