6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine

C22H23N3O2 — CID 11660512

IUPAC6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C22H23N3O2/c1-15-3-2-9-25(15)10-8-16-4-6-19-17(11-16)5-7-20(24-19)18-12-21-22(23-13-18)27-14-26-21/h4-7,11-13,15H,2-3,8-10,14H2,1H3/t15-/m1/s1
InChIKeyGGPUVZHICLSIOX-OAHLLOKOSA-N
MW361.45 g/mol
LogP4.05
Rot. Bonds4

About 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine

6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine (PubChem CID 11660512) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine
PubChem CID11660512
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C22H23N3O2/c1-15-3-2-9-25(15)10-8-16-4-6-19-17(11-16)5-7-20(24-19)18-12-21-22(23-13-18)27-14-26-21/h4-7,11-13,15H,2-3,8-10,14H2,1H3/t15-/m1/s1
InChIKeyGGPUVZHICLSIOX-OAHLLOKOSA-N
XLogP4.05
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine?
The IUPAC name of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine (CID 11660512) is 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine.
What is the SMILES notation for 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine?
The canonical SMILES for 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine is C[C@@H]1CCCN1CCc1ccc2nc(-c3cnc4c(c3)OCO4)ccc2c1.
What is the InChIKey of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine?
The InChIKey is GGPUVZHICLSIOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-3-2-9-25(15)10-8-16-4-6-19-17(11-16)5-7-20(24-19)18-12-21-22(23-13-18)27-14-26-21/h4-7,11-13,15H,2-3,8-10,14H2,1H3/t15-/m1/s1.
What are the key properties of 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine?
6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine has a molecular weight of 361.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-[1,3]dioxolo[4,5-b]pyridine is sourced from PubChem (CID 11660512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).