6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline

C14H14BrClN2O — CID 139557565

IUPAC6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline
SMILESCOc1cc2nc(Cl)c(C3CCCN3)cc2cc1Br
InChIInChI=1S/C14H14BrClN2O/c1-19-13-7-12-8(6-10(13)15)5-9(14(16)18-12)11-3-2-4-17-11/h5-7,11,17H,2-4H2,1H3
InChIKeyFYQMTFFNHMFBBI-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.08
Rot. Bonds2

About 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline

6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline (PubChem CID 139557565) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline
PubChem CID139557565
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline
SMILESCOc1cc2nc(Cl)c(C3CCCN3)cc2cc1Br
InChIInChI=1S/C14H14BrClN2O/c1-19-13-7-12-8(6-10(13)15)5-9(14(16)18-12)11-3-2-4-17-11/h5-7,11,17H,2-4H2,1H3
InChIKeyFYQMTFFNHMFBBI-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 131072200
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline?
The IUPAC name of 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline (CID 139557565) is 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline.
What is the SMILES notation for 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline?
The canonical SMILES for 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline is COc1cc2nc(Cl)c(C3CCCN3)cc2cc1Br.
What is the InChIKey of 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline?
The InChIKey is FYQMTFFNHMFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-19-13-7-12-8(6-10(13)15)5-9(14(16)18-12)11-3-2-4-17-11/h5-7,11,17H,2-4H2,1H3.
What are the key properties of 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline?
6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline has a molecular weight of 341.64 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-7-methoxy-3-pyrrolidin-2-ylquinoline is sourced from PubChem (CID 139557565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).