1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid

C22H22N2O3 — CID 3908293

IUPAC1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1C(c1cnc2ccccc2c1)N1CCCC1C(=O)O
InChIInChI=1S/C22H22N2O3/c1-27-20-11-5-3-8-17(20)21(24-12-6-10-19(24)22(25)26)16-13-15-7-2-4-9-18(15)23-14-16/h2-5,7-9,11,13-14,19,21H,6,10,12H2,1H3,(H,25,26)
InChIKeyMLYNNPBMSASXRG-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.88
Rot. Bonds5

About 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid

1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid (PubChem CID 3908293) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
PubChem CID3908293
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1C(c1cnc2ccccc2c1)N1CCCC1C(=O)O
InChIInChI=1S/C22H22N2O3/c1-27-20-11-5-3-8-17(20)21(24-12-6-10-19(24)22(25)26)16-13-15-7-2-4-9-18(15)23-14-16/h2-5,7-9,11,13-14,19,21H,6,10,12H2,1H3,(H,25,26)
InChIKeyMLYNNPBMSASXRG-UHFFFAOYSA-N
XLogP3.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5004191
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[quinolin-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3309289
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3926082
1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3912118
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[(3-fluorophenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3886985
1-[(3-methylthiophen-2-yl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4316503
1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4029516
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5173108
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4020341

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid (CID 3908293) is 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid is COc1ccccc1C(c1cnc2ccccc2c1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MLYNNPBMSASXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-20-11-5-3-8-17(20)21(24-12-6-10-19(24)22(25)26)16-13-15-7-2-4-9-18(15)23-14-16/h2-5,7-9,11,13-14,19,21H,6,10,12H2,1H3,(H,25,26).
What are the key properties of 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3908293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).