4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one

C15H16BrN3O2 — CID 124612144

IUPAC4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
SMILESNC[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-2-10-11(6-13(20)18-14(10)12)15(21)19-5-4-9(7-17)8-19/h1-3,6,9H,4-5,7-8,17H2,(H,18,20)/t9-/m1/s1
InChIKeyRUOKJUALVFKRFS-SECBINFHSA-N
MW350.22 g/mol
LogP1.71
Rot. Bonds2

About 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one

4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one (PubChem CID 124612144) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
PubChem CID124612144
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
SMILESNC[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1
InChIInChI=1S/C15H16BrN3O2/c16-12-3-1-2-10-11(6-13(20)18-14(10)12)15(21)19-5-4-9(7-17)8-19/h1-3,6,9H,4-5,7-8,17H2,(H,18,20)/t9-/m1/s1
InChIKeyRUOKJUALVFKRFS-SECBINFHSA-N
XLogP1.71
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
CID 119377002
8-bromo-4-[(3S)-3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124587988
8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370674
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one?
The IUPAC name of 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one (CID 124612144) is 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one?
The canonical SMILES for 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one is NC[C@H]1CCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1.
What is the InChIKey of 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one?
The InChIKey is RUOKJUALVFKRFS-SECBINFHSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-3-1-2-10-11(6-13(20)18-14(10)12)15(21)19-5-4-9(7-17)8-19/h1-3,6,9H,4-5,7-8,17H2,(H,18,20)/t9-/m1/s1.
What are the key properties of 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one?
4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one has a molecular weight of 350.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one is sourced from PubChem (CID 124612144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).