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

C13H15ClN4 — CID 123386788

IUPAC6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
SMILESClc1ccc2nc(NC[C@H]3CCNC3)cnc2c1
InChIInChI=1S/C13H15ClN4/c14-10-1-2-11-12(5-10)16-8-13(18-11)17-7-9-3-4-15-6-9/h1-2,5,8-9,15H,3-4,6-7H2,(H,17,18)/t9-/m0/s1
InChIKeyGCRCSVFXXNDQJI-VIFPVBQESA-N
MW262.74 g/mol
LogP2.30
Rot. Bonds3

About 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine

6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine (PubChem CID 123386788) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
PubChem CID123386788
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine
SMILESClc1ccc2nc(NC[C@H]3CCNC3)cnc2c1
InChIInChI=1S/C13H15ClN4/c14-10-1-2-11-12(5-10)16-8-13(18-11)17-7-9-3-4-15-6-9/h1-2,5,8-9,15H,3-4,6-7H2,(H,17,18)/t9-/m0/s1
InChIKeyGCRCSVFXXNDQJI-VIFPVBQESA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]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

6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride
CID 141253343
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
5-(2,3-dichlorophenyl)sulfanyl-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
CID 134183060
(2-chloro-5-methylphenyl)-[3-[[(6-chloroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
CID 67043276
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
6-chloro-2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643194
6-chloro-2-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 58200841
N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
CID 22560251

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine?
The IUPAC name of 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine (CID 123386788) is 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine is Clc1ccc2nc(NC[C@H]3CCNC3)cnc2c1.
What is the InChIKey of 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine?
The InChIKey is GCRCSVFXXNDQJI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN4/c14-10-1-2-11-12(5-10)16-8-13(18-11)17-7-9-3-4-15-6-9/h1-2,5,8-9,15H,3-4,6-7H2,(H,17,18)/t9-/m0/s1.
What are the key properties of 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine?
6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 123386788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).