N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide

C16H14N4O — CID 63754296

IUPACN-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide
SMILESNCc1ccccc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H14N4O/c17-10-12-3-1-2-4-13(12)20-16(21)11-5-6-14-15(9-11)19-8-7-18-14/h1-9H,10,17H2,(H,20,21)
InChIKeyMYMANHLEAGAEDJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.34
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide

N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide (PubChem CID 63754296) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide
PubChem CID63754296
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide
SMILESNCc1ccccc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H14N4O/c17-10-12-3-1-2-4-13(12)20-16(21)11-5-6-14-15(9-11)19-8-7-18-14/h1-9H,10,17H2,(H,20,21)
InChIKeyMYMANHLEAGAEDJ-UHFFFAOYSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 81295178
N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 64895437
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide (CID 63754296) is N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide is NCc1ccccc1NC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is MYMANHLEAGAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-10-12-3-1-2-4-13(12)20-16(21)11-5-6-14-15(9-11)19-8-7-18-14/h1-9H,10,17H2,(H,20,21).
What are the key properties of N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide?
N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 63754296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).