3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine

C13H15ClN4 — CID 97164043

IUPAC3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NC[C@@H]1CCCN1
InChIInChI=1S/C13H15ClN4/c14-12-13(16-8-9-4-3-7-15-9)18-11-6-2-1-5-10(11)17-12/h1-2,5-6,9,15H,3-4,7-8H2,(H,16,18)/t9-/m0/s1
InChIKeyFDKJCPZZEZDEFK-VIFPVBQESA-N
MW262.74 g/mol
LogP2.45
Rot. Bonds3

About 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine

3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 97164043) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
PubChem CID97164043
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NC[C@@H]1CCCN1
InChIInChI=1S/C13H15ClN4/c14-12-13(16-8-9-4-3-7-15-9)18-11-6-2-1-5-10(11)17-12/h1-2,5-6,9,15H,3-4,7-8H2,(H,16,18)/t9-/m0/s1
InChIKeyFDKJCPZZEZDEFK-VIFPVBQESA-N
XLogP2.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
N-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]quinoxalin-2-amine
CID 97164715
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine (CID 97164043) is 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine is Clc1nc2ccccc2nc1NC[C@@H]1CCCN1.
What is the InChIKey of 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is FDKJCPZZEZDEFK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN4/c14-12-13(16-8-9-4-3-7-15-9)18-11-6-2-1-5-10(11)17-12/h1-2,5-6,9,15H,3-4,7-8H2,(H,16,18)/t9-/m0/s1.
What are the key properties of 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine?
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 97164043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).