5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline

C14H15BrN2 — CID 112618368

IUPAC5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
SMILESCC1NCCC1c1ccc(Br)c2cccnc12
InChIInChI=1S/C14H15BrN2/c1-9-10(6-8-16-9)11-4-5-13(15)12-3-2-7-17-14(11)12/h2-5,7,9-10,16H,6,8H2,1H3
InChIKeyGSVZNTKJJLACKJ-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.46
Rot. Bonds1

About 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline

5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline (PubChem CID 112618368) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
PubChem CID112618368
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
SMILESCC1NCCC1c1ccc(Br)c2cccnc12
InChIInChI=1S/C14H15BrN2/c1-9-10(6-8-16-9)11-4-5-13(15)12-3-2-7-17-14(11)12/h2-5,7,9-10,16H,6,8H2,1H3
InChIKeyGSVZNTKJJLACKJ-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
CID 112618396
2-(5-bromoquinolin-8-yl)cyclopropan-1-amine
CID 112618257
5-bromo-8-(5-methylpyrrolidin-3-yl)quinoline
CID 112618555
2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
CID 112618394
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
CID 112618670
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
3-(2,3-difluorophenyl)-2-methylpyrrolidine
CID 63667430
5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 115960680
5-bromoquinolin-8-ol;nickel
CID 175092761
4-(2-methylpyrrolidin-3-yl)pyrimidine
CID 63987875
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
7-bromo-8-piperidin-4-yloxyquinoline
CID 68754211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline?
The IUPAC name of 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline (CID 112618368) is 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline.
What is the SMILES notation for 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline?
The canonical SMILES for 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline is CC1NCCC1c1ccc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline?
The InChIKey is GSVZNTKJJLACKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-9-10(6-8-16-9)11-4-5-13(15)12-3-2-7-17-14(11)12/h2-5,7,9-10,16H,6,8H2,1H3.
What are the key properties of 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline?
5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline has a molecular weight of 291.19 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline is sourced from PubChem (CID 112618368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).