N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide

C16H14N4O — CID 62849872

IUPACN-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
SMILESNc1ccccc1CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H14N4O/c17-13-4-2-1-3-12(13)10-20-16(21)11-5-6-14-15(9-11)19-8-7-18-14/h1-9H,10,17H2,(H,20,21)
InChIKeyCIYATZGFTXKNQZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.14
Rot. Bonds3

About N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide

N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide (PubChem CID 62849872) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
PubChem CID62849872
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
SMILESNc1ccccc1CNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C16H14N4O/c17-13-4-2-1-3-12(13)10-20-16(21)11-5-6-14-15(9-11)19-8-7-18-14/h1-9H,10,17H2,(H,20,21)
InChIKeyCIYATZGFTXKNQZ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)phenyl]quinoxaline-6-carboxamide
CID 63754296
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538
N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide (CID 62849872) is N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide is Nc1ccccc1CNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide?
The InChIKey is CIYATZGFTXKNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13-4-2-1-3-12(13)10-20-16(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-aminophenyl)methyl]quinoxaline-6-carboxamide?
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 62849872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).