6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline

C21H20N4 — CID 170022006

IUPAC6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline
SMILESCc1c[nH]c2ncc(-c3cc(C4CCCN4)c4ncccc4c3)cc12
InChIInChI=1S/C21H20N4/c1-13-11-24-21-17(13)10-16(12-25-21)15-8-14-4-2-7-23-20(14)18(9-15)19-5-3-6-22-19/h2,4,7-12,19,22H,3,5-6H2,1H3,(H,24,25)
InChIKeyCEIFNRLHNISAEX-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.51
Rot. Bonds2

About 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline

6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline (PubChem CID 170022006) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline.

Molecular Properties

Compound Name6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline
PubChem CID170022006
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline
SMILESCc1c[nH]c2ncc(-c3cc(C4CCCN4)c4ncccc4c3)cc12
InChIInChI=1S/C21H20N4/c1-13-11-24-21-17(13)10-16(12-25-21)15-8-14-4-2-7-23-20(14)18(9-15)19-5-3-6-22-19/h2,4,7-12,19,22H,3,5-6H2,1H3,(H,24,25)
InChIKeyCEIFNRLHNISAEX-UHFFFAOYSA-N
XLogP4.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline
CID 170022018
3-methyl-5-[8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isochromen-6-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164912704
[(1S)-2-(2-methyl-4-pyridinyl)-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinolin-1-yl] formate
CID 174160462
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 164913259
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
cyclohexyl-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170014331
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(oxan-4-ylmethyl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 164913166
[(2R)-2-methylmorpholin-4-yl]-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 164912880
(5-methylpyrazin-2-yl)-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 164912863
N,N-dimethyl-3-[5-(8-pyrrolidin-2-ylisoquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-ynamide
CID 171606733
[(3R)-3-methoxypyrrolidin-1-yl]-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 164912926
[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone
CID 170022507

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline?
The IUPAC name of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline (CID 170022006) is 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline.
What is the SMILES notation for 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline?
The canonical SMILES for 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline is Cc1c[nH]c2ncc(-c3cc(C4CCCN4)c4ncccc4c3)cc12.
What is the InChIKey of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline?
The InChIKey is CEIFNRLHNISAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-13-11-24-21-17(13)10-16(12-25-21)15-8-14-4-2-7-23-20(14)18(9-15)19-5-3-6-22-19/h2,4,7-12,19,22H,3,5-6H2,1H3,(H,24,25).
What are the key properties of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline?
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline has a molecular weight of 328.42 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline is sourced from PubChem (CID 170022006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).