(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid

C15H13ClN2O3 — CID 124610671

IUPAC(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1
InChIInChI=1S/C15H13ClN2O3/c16-11-6-9-2-1-4-17-13(9)12(7-11)14(19)18-5-3-10(8-18)15(20)21/h1-2,4,6-7,10H,3,5,8H2,(H,20,21)/t10-/m1/s1
InChIKeyAMRIZCNEEZYYLC-SNVBAGLBSA-N
MW304.73 g/mol
LogP2.43
Rot. Bonds2

About (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124610671) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124610671
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1
InChIInChI=1S/C15H13ClN2O3/c16-11-6-9-2-1-4-17-13(9)12(7-11)14(19)18-5-3-10(8-18)15(20)21/h1-2,4,6-7,10H,3,5,8H2,(H,20,21)/t10-/m1/s1
InChIKeyAMRIZCNEEZYYLC-SNVBAGLBSA-N
XLogP2.43
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,8aS)-6-(6-chloroquinoline-8-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 166294355
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 51107660
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469
N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55950411
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877406
(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094000
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 154741586
1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124482

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid (CID 124610671) is (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1.
What is the InChIKey of (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AMRIZCNEEZYYLC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-6-9-2-1-4-17-13(9)12(7-11)14(19)18-5-3-10(8-18)15(20)21/h1-2,4,6-7,10H,3,5,8H2,(H,20,21)/t10-/m1/s1.
What are the key properties of (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).