1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid

C20H19N3O2 — CID 3936447

IUPAC1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cccnc1)c1ccnc2ccccc12
InChIInChI=1S/C20H19N3O2/c24-20(25)18-8-4-12-23(18)19(14-5-3-10-21-13-14)16-9-11-22-17-7-2-1-6-15(16)17/h1-3,5-7,9-11,13,18-19H,4,8,12H2,(H,24,25)
InChIKeyKLAZEECNIZYVDT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.27
Rot. Bonds4

About 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid

1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3936447) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3936447
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cccnc1)c1ccnc2ccccc12
InChIInChI=1S/C20H19N3O2/c24-20(25)18-8-4-12-23(18)19(14-5-3-10-21-13-14)16-9-11-22-17-7-2-1-6-15(16)17/h1-3,5-7,9-11,13,18-19H,4,8,12H2,(H,24,25)
InChIKeyKLAZEECNIZYVDT-UHFFFAOYSA-N
XLogP3.27
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[phenyl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3323580
1-[(4-phenylphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3966351
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-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5169014
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4209343
1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4660480
1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3942508
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[(5-chloro-2-methoxyphenyl)-quinolin-4-ylmethyl]piperidine-2-carboxylic acid
CID 4002320

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid (CID 3936447) is 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1cccnc1)c1ccnc2ccccc12.
What is the InChIKey of 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KLAZEECNIZYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)18-8-4-12-23(18)19(14-5-3-10-21-13-14)16-9-11-22-17-7-2-1-6-15(16)17/h1-3,5-7,9-11,13,18-19H,4,8,12H2,(H,24,25).
What are the key properties of 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3936447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).