(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine

C12H13ClN4 — CID 71643980

IUPAC(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C12H13ClN4/c13-11-12(17-6-5-8(14)7-17)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7,14H2/t8-/m0/s1
InChIKeyJEEYYTSPEJPRCO-QMMMGPOBSA-N
MW248.72 g/mol
LogP1.82
Rot. Bonds1

About (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine

(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine (PubChem CID 71643980) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
PubChem CID71643980
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C12H13ClN4/c13-11-12(17-6-5-8(14)7-17)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7,14H2/t8-/m0/s1
InChIKeyJEEYYTSPEJPRCO-QMMMGPOBSA-N
XLogP1.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-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

(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
CID 97165469
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71643054
1-(1,2,4-benzotriazin-3-yl)pyrrolidin-3-amine
CID 103204643
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
CID 97164747
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine (CID 71643980) is (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine is N[C@H]1CCN(c2nc3ccccc3nc2Cl)C1.
What is the InChIKey of (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine?
The InChIKey is JEEYYTSPEJPRCO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-11-12(17-6-5-8(14)7-17)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7,14H2/t8-/m0/s1.
What are the key properties of (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine?
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine has a molecular weight of 248.72 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 71643980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).