1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C16H15ClN2O4 — CID 120534359

IUPAC1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc3ccc(Cl)cc3n2)C1
InChIInChI=1S/C16H15ClN2O4/c1-23-11-7-14(16(21)22)19(8-11)15(20)12-5-3-9-2-4-10(17)6-13(9)18-12/h2-6,11,14H,7-8H2,1H3,(H,21,22)
InChIKeyBRXKSZFPKUYKTG-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.20
Rot. Bonds3

About 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 120534359) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID120534359
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc3ccc(Cl)cc3n2)C1
InChIInChI=1S/C16H15ClN2O4/c1-23-11-7-14(16(21)22)19(8-11)15(20)12-5-3-9-2-4-10(17)6-13(9)18-12/h2-6,11,14H,7-8H2,1H3,(H,21,22)
InChIKeyBRXKSZFPKUYKTG-UHFFFAOYSA-N
XLogP2.20
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 103932758
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(4-chloro-1H-pyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43208944
4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199852
1-[2-(2,4-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43172327
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 66391047
methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 75420393
1-(5-acetamido-2-chlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534505
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
1-[(4-chlorophenyl)methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61192553
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 120534359) is 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccc3ccc(Cl)cc3n2)C1.
What is the InChIKey of 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is BRXKSZFPKUYKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-23-11-7-14(16(21)22)19(8-11)15(20)12-5-3-9-2-4-10(17)6-13(9)18-12/h2-6,11,14H,7-8H2,1H3,(H,21,22).
What are the key properties of 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120534359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).