(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

C15H13BrN2O4 — CID 119370674

IUPAC(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C15H13BrN2O4/c16-10-4-1-3-8-9(7-12(19)17-13(8)10)14(20)18-6-2-5-11(18)15(21)22/h1,3-4,7,11H,2,5-6H2,(H,17,19)(H,21,22)/t11-/m1/s1
InChIKeySIHKSDFWBODTGF-LLVKDONJSA-N
MW365.18 g/mol
LogP1.98
Rot. Bonds2

About (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119370674) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119370674
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C15H13BrN2O4/c16-10-4-1-3-8-9(7-12(19)17-13(8)10)14(20)18-6-2-5-11(18)15(21)22/h1,3-4,7,11H,2,5-6H2,(H,17,19)(H,21,22)/t11-/m1/s1
InChIKeySIHKSDFWBODTGF-LLVKDONJSA-N
XLogP1.98
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-aminopiperidine-1-carbonyl)-8-bromo-1H-quinolin-2-one
CID 119377002
8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
1-(3-bromonaphthalene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355915
4-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-8-bromo-1H-quinolin-2-one
CID 124612144
(2R)-1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371445
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 175336143
(2R)-1-(5-amino-2-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 113281253
(2S)-1-(2-bromo-6-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 104939537
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119370674) is (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12.
What is the InChIKey of (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SIHKSDFWBODTGF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c16-10-4-1-3-8-9(7-12(19)17-13(8)10)14(20)18-6-2-5-11(18)15(21)22/h1,3-4,7,11H,2,5-6H2,(H,17,19)(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 365.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(8-bromo-2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).