(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide

C23H21N3O3 — CID 142671881

IUPAC(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc2c(c1)N[C@H](Cc1ccccc1)C(=O)N2
InChIInChI=1S/C23H21N3O3/c27-22(26-29-15-17-9-5-2-6-10-17)18-11-12-19-20(14-18)24-21(23(28)25-19)13-16-7-3-1-4-8-16/h1-12,14,21,24H,13,15H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChIKeyOUPYWRFCMWRYKL-OAQYLSRUSA-N
MW387.44 g/mol
LogP3.52
Rot. Bonds6

About (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide

(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 142671881) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID142671881
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc2c(c1)N[C@H](Cc1ccccc1)C(=O)N2
InChIInChI=1S/C23H21N3O3/c27-22(26-29-15-17-9-5-2-6-10-17)18-11-12-19-20(14-18)24-21(23(28)25-19)13-16-7-3-1-4-8-16/h1-12,14,21,24H,13,15H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChIKeyOUPYWRFCMWRYKL-OAQYLSRUSA-N
XLogP3.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxyphenyl)propyl]-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide
CID 142671858
(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660851
methyl (2S)-2-benzyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylate
CID 102354495
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660855
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-bromo-N-phenylmethoxybenzamide
CID 41450559
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 82790960
2-benzyl-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376842
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
methyl 3-[2-(naphthalene-2-carbonylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylate
CID 142671841
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide (CID 142671881) is (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide is O=C(NOCc1ccccc1)c1ccc2c(c1)N[C@H](Cc1ccccc1)C(=O)N2.
What is the InChIKey of (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is OUPYWRFCMWRYKL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(26-29-15-17-9-5-2-6-10-17)18-11-12-19-20(14-18)24-21(23(28)25-19)13-16-7-3-1-4-8-16/h1-12,14,21,24H,13,15H2,(H,25,28)(H,26,27)/t21-/m1/s1.
What are the key properties of (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide?
(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 142671881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).