3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline

C14H21N3 — CID 96599386

IUPAC3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline
SMILESCC1(C)CNc2cc(N3CCCC3)ccc2N1
InChIInChI=1S/C14H21N3/c1-14(2)10-15-13-9-11(5-6-12(13)16-14)17-7-3-4-8-17/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyUJHHIYBQEHXZRC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds1

About 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline

3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline (PubChem CID 96599386) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline
PubChem CID96599386
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline
SMILESCC1(C)CNc2cc(N3CCCC3)ccc2N1
InChIInChI=1S/C14H21N3/c1-14(2)10-15-13-9-11(5-6-12(13)16-14)17-7-3-4-8-17/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyUJHHIYBQEHXZRC-UHFFFAOYSA-N
XLogP2.90
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydroisoquinolin-1-one
CID 168514747
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one
CID 168515878
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
3,3-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,4-diazepane
CID 64950782
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2',2'-dimethyl-6-morpholin-4-ylspiro[1,2-dihydroindole-3,5'-1,3-dioxane]
CID 67284959
2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline
CID 175304172

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline (CID 96599386) is 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline is CC1(C)CNc2cc(N3CCCC3)ccc2N1.
What is the InChIKey of 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline?
The InChIKey is UJHHIYBQEHXZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2)10-15-13-9-11(5-6-12(13)16-14)17-7-3-4-8-17/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline?
3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline has a molecular weight of 231.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 96599386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).