(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid

C14H12Cl2N2O2 — CID 122059729

IUPAC(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccc2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C14H12Cl2N2O2/c15-9-5-3-8-4-6-11(17-13(8)12(9)16)18-7-1-2-10(18)14(19)20/h3-6,10H,1-2,7H2,(H,19,20)/t10-/m0/s1
InChIKeyMSUHPFBDVAEYQM-JTQLQIEISA-N
MW311.17 g/mol
LogP3.60
Rot. Bonds2

About (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122059729) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122059729
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccc2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C14H12Cl2N2O2/c15-9-5-3-8-4-6-11(17-13(8)12(9)16)18-7-1-2-10(18)14(19)20/h3-6,10H,1-2,7H2,(H,19,20)/t10-/m0/s1
InChIKeyMSUHPFBDVAEYQM-JTQLQIEISA-N
XLogP3.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 65321116
(2S)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059652
(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059695
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
(2S)-1-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059598

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid (CID 122059729) is (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccc2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MSUHPFBDVAEYQM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-9-5-3-8-4-6-11(17-13(8)12(9)16)18-7-1-2-10(18)14(19)20/h3-6,10H,1-2,7H2,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).