1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid

C21H21N3O2 — CID 3926082

IUPAC1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(C(c2cnc3ccccc3c2)N2CCCC2C(=O)O)n1
InChIInChI=1S/C21H21N3O2/c1-14-6-4-9-18(23-14)20(24-11-5-10-19(24)21(25)26)16-12-15-7-2-3-8-17(15)22-13-16/h2-4,6-9,12-13,19-20H,5,10-11H2,1H3,(H,25,26)
InChIKeySZNXMZPITNJIRB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.58
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid

1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid (PubChem CID 3926082) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
PubChem CID3926082
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(C(c2cnc3ccccc3c2)N2CCCC2C(=O)O)n1
InChIInChI=1S/C21H21N3O2/c1-14-6-4-9-18(23-14)20(24-11-5-10-19(24)21(25)26)16-12-15-7-2-3-8-17(15)22-13-16/h2-4,6-9,12-13,19-20H,5,10-11H2,1H3,(H,25,26)
InChIKeySZNXMZPITNJIRB-UHFFFAOYSA-N
XLogP3.58
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 4685036
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
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-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3908293
1-[(4-bromophenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4556434
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
1-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 3568909
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4983234
1-[quinolin-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3309289
1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3934336

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid (CID 3926082) is 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid is Cc1cccc(C(c2cnc3ccccc3c2)N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SZNXMZPITNJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-6-4-9-18(23-14)20(24-11-5-10-19(24)21(25)26)16-12-15-7-2-3-8-17(15)22-13-16/h2-4,6-9,12-13,19-20H,5,10-11H2,1H3,(H,25,26).
What are the key properties of 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3926082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).