3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione

C10H7N3O2 — CID 138115458

IUPAC3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
SMILESO=C1N=C2c3ccccc3NC(=O)C2N1
InChIInChI=1S/C10H7N3O2/c14-9-8-7(12-10(15)13-8)5-3-1-2-4-6(5)11-9/h1-4,8H,(H,11,14)(H,13,15)
InChIKeyGSZXHTVSZRINJX-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.52
Rot. Bonds

About 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione

3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione (PubChem CID 138115458) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione.

Molecular Properties

Compound Name3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
PubChem CID138115458
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
SMILESO=C1N=C2c3ccccc3NC(=O)C2N1
InChIInChI=1S/C10H7N3O2/c14-9-8-7(12-10(15)13-8)5-3-1-2-4-6(5)11-9/h1-4,8H,(H,11,14)(H,13,15)
InChIKeyGSZXHTVSZRINJX-UHFFFAOYSA-N
XLogP0.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R,2R)-2-(2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)cyclobutyl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 137184527
(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
(5-cycloheptyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
CID 135829360
(4aR)-4a,5-dihydropyrimido[5,4-b]indol-4-one
CID 137154311
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
(6aS,7S)-7-amino-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 11941410
3-[(1R,2R)-2-[(2-oxo-1H-indol-3-ylidene)amino]cyclohexyl]imino-1H-indol-2-one
CID 139084077
(3R)-3-(methylamino)-1H-quinoline-2,4-dione
CID 7260871
3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 138404194
8,9,9-trimethyl-5,6a,7,8-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 57108938
4-amino-1-methyl-4,6-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-5-one
CID 72695800
2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
CID 82376382

Frequently Asked Questions

What is the IUPAC name of 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione?
The IUPAC name of 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione (CID 138115458) is 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione.
What is the SMILES notation for 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione?
The canonical SMILES for 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione is O=C1N=C2c3ccccc3NC(=O)C2N1.
What is the InChIKey of 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione?
The InChIKey is GSZXHTVSZRINJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-9-8-7(12-10(15)13-8)5-3-1-2-4-6(5)11-9/h1-4,8H,(H,11,14)(H,13,15).
What are the key properties of 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione?
3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione has a molecular weight of 201.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione is sourced from PubChem (CID 138115458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).