1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid

C27H24N2O2 — CID 3966351

IUPAC1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccc(-c2ccccc2)cc1)c1ccnc2ccccc12
InChIInChI=1S/C27H24N2O2/c30-27(31)25-11-6-18-29(25)26(23-16-17-28-24-10-5-4-9-22(23)24)21-14-12-20(13-15-21)19-7-2-1-3-8-19/h1-5,7-10,12-17,25-26H,6,11,18H2,(H,30,31)
InChIKeyLVKYLIZREGMRQA-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.54
Rot. Bonds5

About 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid

1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid (PubChem CID 3966351) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
PubChem CID3966351
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccc(-c2ccccc2)cc1)c1ccnc2ccccc12
InChIInChI=1S/C27H24N2O2/c30-27(31)25-11-6-18-29(25)26(23-16-17-28-24-10-5-4-9-22(23)24)21-14-12-20(13-15-21)19-7-2-1-3-8-19/h1-5,7-10,12-17,25-26H,6,11,18H2,(H,30,31)
InChIKeyLVKYLIZREGMRQA-UHFFFAOYSA-N
XLogP5.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3323580
1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3936447
1-[(3-bromophenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3528715
1-[1,3-benzothiazol-2-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3360200
1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5169014
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(4-ethoxyphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5219331
1-[(5-chloro-2-methoxyphenyl)-quinolin-4-ylmethyl]piperidine-2-carboxylic acid
CID 4002320
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3438294

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid (CID 3966351) is 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1ccc(-c2ccccc2)cc1)c1ccnc2ccccc12.
What is the InChIKey of 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LVKYLIZREGMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-27(31)25-11-6-18-29(25)26(23-16-17-28-24-10-5-4-9-22(23)24)21-14-12-20(13-15-21)19-7-2-1-3-8-19/h1-5,7-10,12-17,25-26H,6,11,18H2,(H,30,31).
What are the key properties of 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid?
1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 408.50 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3966351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).