3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine

C16H21N3 — CID 117030156

IUPAC3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)N1CCc2cc3ccccc3nc21
InChIInChI=1S/C16H21N3/c1-16(2,8-9-17)19-10-7-13-11-12-5-3-4-6-14(12)18-15(13)19/h3-6,11H,7-10,17H2,1-2H3
InChIKeySXNQYTKMZJPHOC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.72
Rot. Bonds3

About 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine (PubChem CID 117030156) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine
PubChem CID117030156
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)N1CCc2cc3ccccc3nc21
InChIInChI=1S/C16H21N3/c1-16(2,8-9-17)19-10-7-13-11-12-5-3-4-6-14(12)18-15(13)19/h3-6,11H,7-10,17H2,1-2H3
InChIKeySXNQYTKMZJPHOC-UHFFFAOYSA-N
XLogP2.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-amine
CID 117030151
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
CID 117030152
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline
CID 117030169
1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996186
1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996187
1-propyl-3H-pyrrolo[2,3-b]quinolin-2-one
CID 45258358
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
CID 117030198
butane-1,2,2-triamine;1,2,3,4-tetrahydroacridine
CID 174793752
1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]propan-1-ol
CID 90273343
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
CID 77034271
1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63786167
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
CID 103540590

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine (CID 117030156) is 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine is CC(C)(CCN)N1CCc2cc3ccccc3nc21.
What is the InChIKey of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine?
The InChIKey is SXNQYTKMZJPHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,8-9-17)19-10-7-13-11-12-5-3-4-6-14(12)18-15(13)19/h3-6,11H,7-10,17H2,1-2H3.
What are the key properties of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine?
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 117030156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).