1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid

C21H20N2O2 — CID 3323580

IUPAC1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-21(25)19-11-6-14-23(19)20(15-7-2-1-3-8-15)17-12-13-22-18-10-5-4-9-16(17)18/h1-5,7-10,12-13,19-20H,6,11,14H2,(H,24,25)
InChIKeyATMXSOCTRLGOKV-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.87
Rot. Bonds4

About 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid

1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3323580) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3323580
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C21H20N2O2/c24-21(25)19-11-6-14-23(19)20(15-7-2-1-3-8-15)17-12-13-22-18-10-5-4-9-16(17)18/h1-5,7-10,12-13,19-20H,6,11,14H2,(H,24,25)
InChIKeyATMXSOCTRLGOKV-UHFFFAOYSA-N
XLogP3.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3966351
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-[(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-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3438294
1-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
(2S)-1-[(S)-carboxy(phenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71614177

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid (CID 3323580) is 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1ccccc1)c1ccnc2ccccc12.
What is the InChIKey of 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ATMXSOCTRLGOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(25)19-11-6-14-23(19)20(15-7-2-1-3-8-15)17-12-13-22-18-10-5-4-9-16(17)18/h1-5,7-10,12-13,19-20H,6,11,14H2,(H,24,25).
What are the key properties of 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3323580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).