N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide

C16H11ClN4O3 — CID 135486159

IUPACN-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
SMILESO=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H11ClN4O3/c17-11-8-10(2-4-14(11)22)20-16(24)21-15(23)9-1-3-12-13(7-9)19-6-5-18-12/h1-8,22H,(H2,20,21,23,24)
InChIKeySMZSKLWUWSGCOJ-UHFFFAOYSA-N
MW342.74 g/mol
LogP2.95
Rot. Bonds2

About N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide

N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide (PubChem CID 135486159) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
PubChem CID135486159
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC NameN-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
SMILESO=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H11ClN4O3/c17-11-8-10(2-4-14(11)22)20-16(24)21-15(23)9-1-3-12-13(7-9)19-6-5-18-12/h1-8,22H,(H2,20,21,23,24)
InChIKeySMZSKLWUWSGCOJ-UHFFFAOYSA-N
XLogP2.95
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-chloro-5-(quinoxaline-6-carbonylcarbamoylamino)benzoate
CID 10179937
ethyl 2-[2-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetate
CID 22647655
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 10272063
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 69463704
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
2-[3-chloro-4-(quinoxaline-6-carbonylcarbamoylamino)phenoxy]acetic acid
CID 10222644
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
CID 89443349
2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 69461730

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide (CID 135486159) is N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide is O=C(NC(=O)c1ccc2nccnc2c1)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide?
The InChIKey is SMZSKLWUWSGCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-11-8-10(2-4-14(11)22)20-16(24)21-15(23)9-1-3-12-13(7-9)19-6-5-18-12/h1-8,22H,(H2,20,21,23,24).
What are the key properties of N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide?
N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide has a molecular weight of 342.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 135486159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).