N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine

C14H17N5O2 — CID 97164338

IUPACN-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
SMILESCN(C[C@H]1CCCN1)c1cnc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N5O2/c1-18(9-10-3-2-6-15-10)14-8-16-13-7-11(19(20)21)4-5-12(13)17-14/h4-5,7-8,10,15H,2-3,6,9H2,1H3/t10-/m1/s1
InChIKeyAMNYLWNCLCQIPZ-SNVBAGLBSA-N
MW287.32 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine

N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 97164338) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
PubChem CID97164338
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
SMILESCN(C[C@H]1CCCN1)c1cnc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H17N5O2/c1-18(9-10-3-2-6-15-10)14-8-16-13-7-11(19(20)21)4-5-12(13)17-14/h4-5,7-8,10,15H,2-3,6,9H2,1H3/t10-/m1/s1
InChIKeyAMNYLWNCLCQIPZ-SNVBAGLBSA-N
XLogP1.73
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.73
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

N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642016
6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71635780
6-nitro-2-[(R)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]quinoxaline
CID 97178131
6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97177886
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106618663
N-methyl-6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641222
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
CID 71635812
N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642055
N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600259
N-(cyclopropylmethyl)-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620134
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine (CID 97164338) is N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine is CN(C[C@H]1CCCN1)c1cnc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is AMNYLWNCLCQIPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18(9-10-3-2-6-15-10)14-8-16-13-7-11(19(20)21)4-5-12(13)17-14/h4-5,7-8,10,15H,2-3,6,9H2,1H3/t10-/m1/s1.
What are the key properties of N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-nitro-N-[[(2R)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 97164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).