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

C15H19N3 — CID 117030152

IUPAC3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CCc2cc3ccccc3nc21
InChIInChI=1S/C15H19N3/c1-16-8-4-9-18-10-7-13-11-12-5-2-3-6-14(12)17-15(13)18/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKeyFJUGKLSSPXVBBS-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.21
Rot. Bonds4

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

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine (PubChem CID 117030152) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
PubChem CID117030152
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CCc2cc3ccccc3nc21
InChIInChI=1S/C15H19N3/c1-16-8-4-9-18-10-7-13-11-12-5-2-3-6-14(12)17-15(13)18/h2-3,5-6,11,16H,4,7-10H2,1H3
InChIKeyFJUGKLSSPXVBBS-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-3-methylbutan-1-amine
CID 117030156
1-methylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996186
1-propylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996187
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)aniline
CID 117030169
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 63778931
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
3-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylpropan-1-amine
CID 3057673
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
4-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)cyclohexan-1-one
CID 117030198

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine (CID 117030152) is 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine is CNCCCN1CCc2cc3ccccc3nc21.
What is the InChIKey of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?
The InChIKey is FJUGKLSSPXVBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-8-4-9-18-10-7-13-11-12-5-2-3-6-14(12)17-15(13)18/h2-3,5-6,11,16H,4,7-10H2,1H3.
What are the key properties of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?
3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.21, 4 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)-N-methylpropan-1-amine is sourced from PubChem (CID 117030152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).