N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide

C14H15N3O4 — CID 91775593

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NC1CCOC[C@H]1O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O4/c18-11-7-21-6-5-10(11)17-14(20)12-13(19)16-9-4-2-1-3-8(9)15-12/h1-4,10-11,18H,5-7H2,(H,16,19)(H,17,20)/t10?,11-/m1/s1
InChIKeyQMRXWYZFROMDFZ-RRKGBCIJSA-N
MW289.29 g/mol
LogP-0.20
Rot. Bonds2

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 91775593) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID91775593
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide
SMILESO=C(NC1CCOC[C@H]1O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O4/c18-11-7-21-6-5-10(11)17-14(20)12-13(19)16-9-4-2-1-3-8(9)15-12/h1-4,10-11,18H,5-7H2,(H,16,19)(H,17,20)/t10?,11-/m1/s1
InChIKeyQMRXWYZFROMDFZ-RRKGBCIJSA-N
XLogP-0.20
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
CID 91785243
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-[2-(4-ethylmorpholin-2-yl)ethyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702354
methyl (2S,4R)-1-methyl-4-[(3-oxo-4H-quinoxaline-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 50952721
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 91762188
N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 70814798
3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
CID 99932155
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 95193985
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
3-[3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-1H-quinoxalin-2-one
CID 56894607
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91762120

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide (CID 91775593) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide is O=C(NC1CCOC[C@H]1O)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is QMRXWYZFROMDFZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-11-7-21-6-5-10(11)17-14(20)12-13(19)16-9-4-2-1-3-8(9)15-12/h1-4,10-11,18H,5-7H2,(H,16,19)(H,17,20)/t10?,11-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 91775593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).