7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one

C16H21N3O2 — CID 173144591

IUPAC7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCN3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-21-12-5-6-13-15(11-12)18-16(20)14(17-13)7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,20)
InChIKeyXYWDUQWWJHTXGA-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.96
Rot. Bonds4

About 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one

7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one (PubChem CID 173144591) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
PubChem CID173144591
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(CCN3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-21-12-5-6-13-15(11-12)18-16(20)14(17-13)7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,20)
InChIKeyXYWDUQWWJHTXGA-UHFFFAOYSA-N
XLogP1.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[3-[1-(cyclopropylmethyl)cyclopropyl]propyl]-7-methoxy-1H-quinoxalin-2-one
CID 123978378
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
3-(5-cyclopropyl-4,4-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
CID 90058415
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine
CID 70006976
3-[5-[(1R,2R)-2-(2,2-difluoroethyl)cyclopropyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 129058167
N-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-2-piperidin-1-ylethanamine;dihydrochloride
CID 70006975
3-[5-[(1S)-3,3-difluorocyclopentyl]pentyl]-7-methoxy-1H-quinoxalin-2-one
CID 90058177
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
1-[2-(5-methoxy-2-methylphenyl)ethyl]piperidine
CID 175842884
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
(2S)-1-(azepan-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
CID 40668059
6-dodecoxy-2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
CID 4169699

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one?
The IUPAC name of 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one (CID 173144591) is 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one is COc1ccc2nc(CCN3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one?
The InChIKey is XYWDUQWWJHTXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-12-5-6-13-15(11-12)18-16(20)14(17-13)7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,20).
What are the key properties of 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one?
7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-piperidin-1-ylethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 173144591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).