(3R)-3-(methylamino)-1H-quinoline-2,4-dione

C10H10N2O2 — CID 7260871

IUPAC(3R)-3-(methylamino)-1H-quinoline-2,4-dione
SMILESCN[C@H]1C(=O)Nc2ccccc2C1=O
InChIInChI=1S/C10H10N2O2/c1-11-8-9(13)6-4-2-3-5-7(6)12-10(8)14/h2-5,8,11H,1H3,(H,12,14)/t8-/m1/s1
InChIKeyVMJJYFFCWNISEX-MRVPVSSYSA-N
MW190.20 g/mol
LogP0.41
Rot. Bonds1

About (3R)-3-(methylamino)-1H-quinoline-2,4-dione

(3R)-3-(methylamino)-1H-quinoline-2,4-dione (PubChem CID 7260871) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3R)-3-(methylamino)-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name(3R)-3-(methylamino)-1H-quinoline-2,4-dione
PubChem CID7260871
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3R)-3-(methylamino)-1H-quinoline-2,4-dione
SMILESCN[C@H]1C(=O)Nc2ccccc2C1=O
InChIInChI=1S/C10H10N2O2/c1-11-8-9(13)6-4-2-3-5-7(6)12-10(8)14/h2-5,8,11H,1H3,(H,12,14)/t8-/m1/s1
InChIKeyVMJJYFFCWNISEX-MRVPVSSYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 71049033
2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide
CID 58595310
(E)-carbamoyl-[[(3S)-2,4-dioxo-1H-quinolin-3-yl]methylidene]azanium
CID 171377140
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione
CID 15153355
8,9,9-trimethyl-5,6a,7,8-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 57108938
5-chloro-6-(2-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344351
3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
CID 138115458
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
2-amino-1,2-dihydroindol-3-one;hydrochloride
CID 146048624
5-oxo-6,11-dihydrobenzo[b][1]benzazepine-6-carbonitrile
CID 11031795

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-1H-quinoline-2,4-dione?
The IUPAC name of (3R)-3-(methylamino)-1H-quinoline-2,4-dione (CID 7260871) is (3R)-3-(methylamino)-1H-quinoline-2,4-dione.
What is the SMILES notation for (3R)-3-(methylamino)-1H-quinoline-2,4-dione?
The canonical SMILES for (3R)-3-(methylamino)-1H-quinoline-2,4-dione is CN[C@H]1C(=O)Nc2ccccc2C1=O.
What is the InChIKey of (3R)-3-(methylamino)-1H-quinoline-2,4-dione?
The InChIKey is VMJJYFFCWNISEX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-11-8-9(13)6-4-2-3-5-7(6)12-10(8)14/h2-5,8,11H,1H3,(H,12,14)/t8-/m1/s1.
What are the key properties of (3R)-3-(methylamino)-1H-quinoline-2,4-dione?
(3R)-3-(methylamino)-1H-quinoline-2,4-dione has a molecular weight of 190.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-1H-quinoline-2,4-dione is sourced from PubChem (CID 7260871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).