(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid

C18H17ClN2O3 — CID 129397510

IUPAC(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H17ClN2O3/c19-12-3-4-15-13(7-12)14(8-16(20-15)10-1-2-10)17(22)21-6-5-11(9-21)18(23)24/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,23,24)/t11-/m1/s1
InChIKeyVCGMMCUKGLEPKY-LLVKDONJSA-N
MW344.80 g/mol
LogP3.31
Rot. Bonds3

About (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 129397510) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID129397510
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H17ClN2O3/c19-12-3-4-15-13(7-12)14(8-16(20-15)10-1-2-10)17(22)21-6-5-11(9-21)18(23)24/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,23,24)/t11-/m1/s1
InChIKeyVCGMMCUKGLEPKY-LLVKDONJSA-N
XLogP3.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 120814660
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
(3R)-1-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 125149055
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
2-[4-(6-chloro-2-cyclopropylquinoline-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520741

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 129397510) is (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1.
What is the InChIKey of (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VCGMMCUKGLEPKY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-12-3-4-15-13(7-12)14(8-16(20-15)10-1-2-10)17(22)21-6-5-11(9-21)18(23)24/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,23,24)/t11-/m1/s1.
What are the key properties of (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 344.80 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129397510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).