3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole

C19H20BrN3O — CID 25156477

IUPAC3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1
InChIInChI=1S/C19H20BrN3O/c1-13-3-2-9-23(13)10-8-14-4-6-16-15(11-14)5-7-17(21-16)18-12-19(20)22-24-18/h4-7,11-13H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyRLDOROHJMZJOFY-CYBMUJFWSA-N
MW386.29 g/mol
LogP4.68
Rot. Bonds4

About 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole

3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole (PubChem CID 25156477) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole
PubChem CID25156477
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1
InChIInChI=1S/C19H20BrN3O/c1-13-3-2-9-23(13)10-8-14-4-6-16-15(11-14)5-7-17(21-16)18-12-19(20)22-24-18/h4-7,11-13H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyRLDOROHJMZJOFY-CYBMUJFWSA-N
XLogP4.68
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole?
The IUPAC name of 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole (CID 25156477) is 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole is C[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1.
What is the InChIKey of 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole?
The InChIKey is RLDOROHJMZJOFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-13-3-2-9-23(13)10-8-14-4-6-16-15(11-14)5-7-17(21-16)18-12-19(20)22-24-18/h4-7,11-13H,2-3,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole?
3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole has a molecular weight of 386.29 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole is sourced from PubChem (CID 25156477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).