N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide

C16H22N4O — CID 4062520

IUPACN-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCCN(C)C)cc2nc1C
InChIInChI=1S/C16H22N4O/c1-11-12(2)19-15-10-13(6-7-14(15)18-11)16(21)17-8-5-9-20(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,21)
InChIKeyNPRFEAHMJGAMSW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.93
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 4062520) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID4062520
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCCN(C)C)cc2nc1C
InChIInChI=1S/C16H22N4O/c1-11-12(2)19-15-10-13(6-7-14(15)18-11)16(21)17-8-5-9-20(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,21)
InChIKeyNPRFEAHMJGAMSW-UHFFFAOYSA-N
XLogP1.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
2-chloro-N-[3-(dimethylamino)propyl]-1,3-benzoxazole-6-carboxamide
CID 100786845
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 4062520) is N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCCN(C)C)cc2nc1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is NPRFEAHMJGAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-12(2)19-15-10-13(6-7-14(15)18-11)16(21)17-8-5-9-20(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 4062520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).