4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one

C14H14BrN3O2 — CID 119934390

IUPAC4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
SMILESN[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C14H14BrN3O2/c15-8-1-2-12-10(5-8)11(6-13(19)17-12)14(20)18-4-3-9(16)7-18/h1-2,5-6,9H,3-4,7,16H2,(H,17,19)/t9-/m0/s1
InChIKeyBWZCZRCZKGPISJ-VIFPVBQESA-N
MW336.19 g/mol
LogP1.46
Rot. Bonds1

About 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one

4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one (PubChem CID 119934390) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
PubChem CID119934390
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
SMILESN[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C14H14BrN3O2/c15-8-1-2-12-10(5-8)11(6-13(19)17-12)14(20)18-4-3-9(16)7-18/h1-2,5-6,9H,3-4,7,16H2,(H,17,19)/t9-/m0/s1
InChIKeyBWZCZRCZKGPISJ-VIFPVBQESA-N
XLogP1.46
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119544979
4-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one
CID 124702415
[(3R)-3-aminopyrrolidin-1-yl]-(4-bromo-2-methylphenyl)methanone
CID 81470129
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(3-aminopyrrolidin-1-yl)-[2-(5-bromo-1H-indol-3-yl)quinolin-4-yl]methanone
CID 18729636
[(3S)-3-aminopyrrolidin-1-yl]-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 107333170
4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
CID 119377002
6-bromo-4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 53367318
4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
CID 124612144
(3-aminopyrrolidin-1-yl)-(4-bromo-2-propan-2-yloxyphenyl)methanone
CID 119482640
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
4-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 72879693

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
The IUPAC name of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one (CID 119934390) is 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one is N[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc23)C1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
The InChIKey is BWZCZRCZKGPISJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-8-1-2-12-10(5-8)11(6-13(19)17-12)14(20)18-4-3-9(16)7-18/h1-2,5-6,9H,3-4,7,16H2,(H,17,19)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one?
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one has a molecular weight of 336.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-2-one is sourced from PubChem (CID 119934390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).