(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C16H15N3O4 — CID 16660855

IUPAC(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(=O)[C@H](Cc1ccc(O)cc1)N2
InChIInChI=1S/C16H15N3O4/c20-11-4-1-9(2-5-11)7-14-16(22)18-13-8-10(15(21)19-23)3-6-12(13)17-14/h1-6,8,14,17,20,23H,7H2,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyKJOSZXXBDMDKMT-AWEZNQCLSA-N
MW313.31 g/mol
LogP1.49
Rot. Bonds3

About (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 16660855) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID16660855
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(=O)[C@H](Cc1ccc(O)cc1)N2
InChIInChI=1S/C16H15N3O4/c20-11-4-1-9(2-5-11)7-14-16(22)18-13-8-10(15(21)19-23)3-6-12(13)17-14/h1-6,8,14,17,20,23H,7H2,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyKJOSZXXBDMDKMT-AWEZNQCLSA-N
XLogP1.49
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
(3R)-3-benzyl-2-oxo-N-phenylmethoxy-3,4-dihydro-1H-quinoxaline-6-carboxamide
CID 142671881
N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 73301125
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
CID 134147304
2-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-3,6-dioxopiperazin-2-yl]acetic acid
CID 171116511
(3S,6S)-3-[(3-bromo-4-hydroxyphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 146020569
(2R)-2-[(3-bromophenyl)methylsulfonylmethyl]-N-[(4-chlorophenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 92906350
2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 22427152
N-butyl-2-[(4-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 126479997

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 16660855) is (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is O=C(NO)c1ccc2c(c1)NC(=O)[C@H](Cc1ccc(O)cc1)N2.
What is the InChIKey of (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is KJOSZXXBDMDKMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-11-4-1-9(2-5-11)7-14-16(22)18-13-8-10(15(21)19-23)3-6-12(13)17-14/h1-6,8,14,17,20,23H,7H2,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
(2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 16660855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).