3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid

C22H22N2O3 — CID 141344774

IUPAC3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
SMILESCOC[C@H]1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C22H22N2O3/c1-27-14-18-8-5-11-24(18)20-13-17-12-16(22(25)26)9-10-19(17)23-21(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyWRKNGTIJFQBFBJ-GOSISDBHSA-N
MW362.43 g/mol
LogP4.22
Rot. Bonds5

About 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid

3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid (PubChem CID 141344774) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
PubChem CID141344774
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid
SMILESCOC[C@H]1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1ccccc1
InChIInChI=1S/C22H22N2O3/c1-27-14-18-8-5-11-24(18)20-13-17-12-16(22(25)26)9-10-19(17)23-21(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyWRKNGTIJFQBFBJ-GOSISDBHSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
The IUPAC name of 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid (CID 141344774) is 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid.
What is the SMILES notation for 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
The canonical SMILES for 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid is COC[C@H]1CCCN1c1cc2cc(C(=O)O)ccc2nc1-c1ccccc1.
What is the InChIKey of 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
The InChIKey is WRKNGTIJFQBFBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-14-18-8-5-11-24(18)20-13-17-12-16(22(25)26)9-10-19(17)23-21(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,18H,5,8,11,14H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid?
3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylquinoline-6-carboxylic acid is sourced from PubChem (CID 141344774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).