3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one

C19H20N4O4 — CID 56894607

IUPAC3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(CC1COCCN1C(=O)c1nc2ccccc2[nH]c1=O)N1CC=CC1
InChIInChI=1S/C19H20N4O4/c24-16(22-7-3-4-8-22)11-13-12-27-10-9-23(13)19(26)17-18(25)21-15-6-2-1-5-14(15)20-17/h1-6,13H,7-12H2,(H,21,25)
InChIKeyUPKYUUGKZRSHNB-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.55
Rot. Bonds3

About 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one

3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one (PubChem CID 56894607) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
PubChem CID56894607
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(CC1COCCN1C(=O)c1nc2ccccc2[nH]c1=O)N1CC=CC1
InChIInChI=1S/C19H20N4O4/c24-16(22-7-3-4-8-22)11-13-12-27-10-9-23(13)19(26)17-18(25)21-15-6-2-1-5-14(15)20-17/h1-6,13H,7-12H2,(H,21,25)
InChIKeyUPKYUUGKZRSHNB-UHFFFAOYSA-N
XLogP0.55
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one
CID 136738161
3-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 134695483
3-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 68748124
6-[(3R)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 95868615
3-[2-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
CID 57329267
2-[(3S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinolin-4-one
CID 95895084
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91775593
3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
CID 95880632
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373
2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 95975192
N-ethyl-1-(3-oxo-4H-quinoxaline-2-carbonyl)pyrrolidine-3-carboxamide
CID 91791993
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one (CID 56894607) is 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one is O=C(CC1COCCN1C(=O)c1nc2ccccc2[nH]c1=O)N1CC=CC1.
What is the InChIKey of 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is UPKYUUGKZRSHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-16(22-7-3-4-8-22)11-13-12-27-10-9-23(13)19(26)17-18(25)21-15-6-2-1-5-14(15)20-17/h1-6,13H,7-12H2,(H,21,25).
What are the key properties of 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one?
3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 368.39 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 56894607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).