N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide

C15H10ClN3O2 — CID 136773882

IUPACN-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cccc2nccnc12
InChIInChI=1S/C15H10ClN3O2/c16-11-8-9(20)4-5-12(11)19-15(21)10-2-1-3-13-14(10)18-7-6-17-13/h1-8,20H,(H,19,21)
InChIKeyORBMRFCXHDWAFJ-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.24
Rot. Bonds2

About N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide

N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide (PubChem CID 136773882) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
PubChem CID136773882
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC NameN-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cccc2nccnc12
InChIInChI=1S/C15H10ClN3O2/c16-11-8-9(20)4-5-12(11)19-15(21)10-2-1-3-13-14(10)18-7-6-17-13/h1-8,20H,(H,19,21)
InChIKeyORBMRFCXHDWAFJ-UHFFFAOYSA-N
XLogP3.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
N-(2-amino-4-bromophenyl)quinoxaline-5-carboxamide
CID 104614021
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-[5-methyl-2-(pentanoylamino)phenyl]quinoxaline-5-carboxamide
CID 50959610
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
CID 139014844

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide (CID 136773882) is N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide is O=C(Nc1ccc(O)cc1Cl)c1cccc2nccnc12.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide?
The InChIKey is ORBMRFCXHDWAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-8-9(20)4-5-12(11)19-15(21)10-2-1-3-13-14(10)18-7-6-17-13/h1-8,20H,(H,19,21).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide?
N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide has a molecular weight of 299.72 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 136773882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).