3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline

C15H18N4O3 — CID 170582101

IUPAC3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline
SMILESCc1nc2cc([N+](=O)[O-])ccc2nc1OCC1CCNCC1
InChIInChI=1S/C15H18N4O3/c1-10-15(22-9-11-4-6-16-7-5-11)18-13-3-2-12(19(20)21)8-14(13)17-10/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyPAXPLTNYZJYENG-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline

3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline (PubChem CID 170582101) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline.

Molecular Properties

Compound Name3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline
PubChem CID170582101
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline
SMILESCc1nc2cc([N+](=O)[O-])ccc2nc1OCC1CCNCC1
InChIInChI=1S/C15H18N4O3/c1-10-15(22-9-11-4-6-16-7-5-11)18-13-3-2-12(19(20)21)8-14(13)17-10/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyPAXPLTNYZJYENG-UHFFFAOYSA-N
XLogP2.22
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
6-nitro-4-(pyrrolidin-3-ylmethoxy)quinazoline
CID 64588096
5-nitro-2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 71635992
4-[[2-(difluoromethyl)-4-nitrophenoxy]methyl]piperidine
CID 63736360
4-[[5-nitro-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]piperidine
CID 159628781
6-chloro-3-methyl-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)quinoxaline
CID 170395031
3-ethyl-2-methyl-6-nitroquinoxaline
CID 142123651
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
6-nitro-2-(pyrrolidin-3-ylmethylsulfonyl)quinoxaline
CID 71636216
6-nitro-2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]quinoxaline
CID 97178113
6-nitro-2-(pyrrolidin-3-ylmethylsulfinyl)quinoxaline
CID 71636236
6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
CID 64587900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline?
The IUPAC name of 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline (CID 170582101) is 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline.
What is the SMILES notation for 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline?
The canonical SMILES for 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline is Cc1nc2cc([N+](=O)[O-])ccc2nc1OCC1CCNCC1.
What is the InChIKey of 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline?
The InChIKey is PAXPLTNYZJYENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-15(22-9-11-4-6-16-7-5-11)18-13-3-2-12(19(20)21)8-14(13)17-10/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline?
3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline has a molecular weight of 302.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nitro-2-(piperidin-4-ylmethoxy)quinoxaline is sourced from PubChem (CID 170582101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).