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

C15H20N4O — CID 71639635

IUPAC3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
SMILESCCOc1nc2ccccc2nc1N(C)[C@H]1CCNC1
InChIInChI=1S/C15H20N4O/c1-3-20-15-14(19(2)11-8-9-16-10-11)17-12-6-4-5-7-13(12)18-15/h4-7,11,16H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyMWRBGJIAQMWYSP-NSHDSACASA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds4

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

3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine (PubChem CID 71639635) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
PubChem CID71639635
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
SMILESCCOc1nc2ccccc2nc1N(C)[C@H]1CCNC1
InChIInChI=1S/C15H20N4O/c1-3-20-15-14(19(2)11-8-9-16-10-11)17-12-6-4-5-7-13(12)18-15/h4-7,11,16H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyMWRBGJIAQMWYSP-NSHDSACASA-N
XLogP1.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
3-ethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71639645
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine?
The IUPAC name of 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine (CID 71639635) is 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine?
The canonical SMILES for 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine is CCOc1nc2ccccc2nc1N(C)[C@H]1CCNC1.
What is the InChIKey of 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine?
The InChIKey is MWRBGJIAQMWYSP-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-20-15-14(19(2)11-8-9-16-10-11)17-12-6-4-5-7-13(12)18-15/h4-7,11,16H,3,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine?
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 71639635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).