N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide

C23H16N4O3 — CID 10272063

IUPACN-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
SMILESO=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H16N4O3/c28-21(15-5-2-1-3-6-15)16-7-4-8-18(13-16)26-23(30)27-22(29)17-9-10-19-20(14-17)25-12-11-24-19/h1-14H,(H2,26,27,29,30)
InChIKeyAGMGIMKEAPUIFP-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.82
Rot. Bonds4

About N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide

N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide (PubChem CID 10272063) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
PubChem CID10272063
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC NameN-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide
SMILESO=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H16N4O3/c28-21(15-5-2-1-3-6-15)16-7-4-8-18(13-16)26-23(30)27-22(29)17-9-10-19-20(14-17)25-12-11-24-19/h1-14H,(H2,26,27,29,30)
InChIKeyAGMGIMKEAPUIFP-UHFFFAOYSA-N
XLogP3.82
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 135486159
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
2-propoxy-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 69463704
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
CID 71533154
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
propan-2-yl 2-chloro-5-(quinoxaline-6-carbonylcarbamoylamino)benzoate
CID 10179937
2-hydroxy-3-methyl-4-(quinoxaline-6-carbonylcarbamoylamino)benzoic acid
CID 69461730
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide (CID 10272063) is N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide is O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide?
The InChIKey is AGMGIMKEAPUIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-21(15-5-2-1-3-6-15)16-7-4-8-18(13-16)26-23(30)27-22(29)17-9-10-19-20(14-17)25-12-11-24-19/h1-14H,(H2,26,27,29,30).
What are the key properties of N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide?
N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzoylphenyl)carbamoyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 10272063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).