4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one

C15H16BrN3O2 — CID 124702415

IUPAC4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
SMILESNC[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H16BrN3O2/c16-9-3-4-13-11(6-9)12(7-14(20)18-13)15(21)19-5-1-2-10(19)8-17/h3-4,6-7,10H,1-2,5,8,17H2,(H,18,20)/t10-/m1/s1
InChIKeyMCOLPLJXPQDHLJ-SNVBAGLBSA-N
MW350.22 g/mol
LogP1.85
Rot. Bonds2

About 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one

4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one (PubChem CID 124702415) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
PubChem CID124702415
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
SMILESNC[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H16BrN3O2/c16-9-3-4-13-11(6-9)12(7-14(20)18-13)15(21)19-5-1-2-10(19)8-17/h3-4,6-7,10H,1-2,5,8,17H2,(H,18,20)/t10-/m1/s1
InChIKeyMCOLPLJXPQDHLJ-SNVBAGLBSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-4-one
CID 126789938
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 119934390
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119544979
[2-(aminomethyl)piperidin-1-yl]-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 107333113
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
CID 81483715
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
methyl (2S)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylate
CID 95123862
(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371445
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
The IUPAC name of 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one (CID 124702415) is 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one.
What is the SMILES notation for 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
The canonical SMILES for 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one is NC[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
The InChIKey is MCOLPLJXPQDHLJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-9-3-4-13-11(6-9)12(7-14(20)18-13)15(21)19-5-1-2-10(19)8-17/h3-4,6-7,10H,1-2,5,8,17H2,(H,18,20)/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one has a molecular weight of 350.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one is sourced from PubChem (CID 124702415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).