6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

C15H17N3O4 — CID 99974461

IUPAC6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C15H17N3O4/c1-22-8-9-4-5-18(7-9)15(21)10-2-3-11-12(6-10)17-14(20)13(19)16-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,19)(H,17,20)/t9-/m1/s1
InChIKeyMMKWCQLVDGUIJK-SECBINFHSA-N
MW303.32 g/mol
LogP0.32
Rot. Bonds3

About 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione

6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 99974461) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID99974461
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1
InChIInChI=1S/C15H17N3O4/c1-22-8-9-4-5-18(7-9)15(21)10-2-3-11-12(6-10)17-14(20)13(19)16-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,19)(H,17,20)/t9-/m1/s1
InChIKeyMMKWCQLVDGUIJK-SECBINFHSA-N
XLogP0.32
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3,3-dimethylbutyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 154847156
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138
(4-amino-3-iodophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112750869
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 56871206
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 56876878
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64723144

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione (CID 99974461) is 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is COC[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1.
What is the InChIKey of 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is MMKWCQLVDGUIJK-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-8-9-4-5-18(7-9)15(21)10-2-3-11-12(6-10)17-14(20)13(19)16-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,19)(H,17,20)/t9-/m1/s1.
What are the key properties of 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 303.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 99974461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).