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

C16H22N4O — CID 71639633

IUPAC3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
SMILESCCOc1nc2ccccc2nc1N(C)[C@H]1CCCNC1
InChIInChI=1S/C16H22N4O/c1-3-21-16-15(20(2)12-7-6-10-17-11-12)18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyPQPVTIDPKGHFTD-LBPRGKRZSA-N
MW286.38 g/mol
LogP2.22
Rot. Bonds4

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

3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine (PubChem CID 71639633) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
PubChem CID71639633
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
SMILESCCOc1nc2ccccc2nc1N(C)[C@H]1CCCNC1
InChIInChI=1S/C16H22N4O/c1-3-21-16-15(20(2)12-7-6-10-17-11-12)18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyPQPVTIDPKGHFTD-LBPRGKRZSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635
3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
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-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
3-ethoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71639645
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
The IUPAC name of 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine (CID 71639633) is 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
The canonical SMILES for 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine is CCOc1nc2ccccc2nc1N(C)[C@H]1CCCNC1.
What is the InChIKey of 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
The InChIKey is PQPVTIDPKGHFTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-21-16-15(20(2)12-7-6-10-17-11-12)18-13-8-4-5-9-14(13)19-16/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine?
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.22, 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)-piperidin-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 71639633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).