N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine

C17H21N5 — CID 133398160

IUPACN,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1N(C)CCCn1ccnc1C
InChIInChI=1S/C17H21N5/c1-13-17(20-16-8-5-4-7-15(16)19-13)21(3)10-6-11-22-12-9-18-14(22)2/h4-5,7-9,12H,6,10-11H2,1-3H3
InChIKeyVGSVYXXCFMXXNE-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.97
Rot. Bonds5

About N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine

N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine (PubChem CID 133398160) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
PubChem CID133398160
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1N(C)CCCn1ccnc1C
InChIInChI=1S/C17H21N5/c1-13-17(20-16-8-5-4-7-15(16)19-13)21(3)10-6-11-22-12-9-18-14(22)2/h4-5,7-9,12H,6,10-11H2,1-3H3
InChIKeyVGSVYXXCFMXXNE-UHFFFAOYSA-N
XLogP2.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133398295
3-(2-methylimidazol-1-yl)propan-1-amine;quinoline
CID 174881981
5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
CID 133398235
3-methyl-1-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133398124
(1R)-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 124614462
N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-6-nitroaniline
CID 133398109
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133398196
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
CID 133398152
5-fluoro-2-N-methyl-2-N-[3-(2-methylimidazol-1-yl)propyl]-4-N-(quinolin-2-ylmethyl)quinazoline-2,4-diamine
CID 167802384
5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 50965256
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63760342

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine?
The IUPAC name of N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine (CID 133398160) is N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine?
The canonical SMILES for N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1N(C)CCCn1ccnc1C.
What is the InChIKey of N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine?
The InChIKey is VGSVYXXCFMXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13-17(20-16-8-5-4-7-15(16)19-13)21(3)10-6-11-22-12-9-18-14(22)2/h4-5,7-9,12H,6,10-11H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine?
N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine is sourced from PubChem (CID 133398160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).