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

C25H22N2O2 — CID 3945509

IUPAC1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cnc2ccccc2c1)c1cccc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-25(29)23-13-6-14-27(23)24(19-15-18-8-2-4-12-22(18)26-16-19)21-11-5-9-17-7-1-3-10-20(17)21/h1-5,7-12,15-16,23-24H,6,13-14H2,(H,28,29)
InChIKeyIQOZJDNNHDREMD-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.03
Rot. Bonds4

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

1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3945509) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3945509
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cnc2ccccc2c1)c1cccc2ccccc12
InChIInChI=1S/C25H22N2O2/c28-25(29)23-13-6-14-27(23)24(19-15-18-8-2-4-12-22(18)26-16-19)21-11-5-9-17-7-1-3-10-20(17)21/h1-5,7-12,15-16,23-24H,6,13-14H2,(H,28,29)
InChIKeyIQOZJDNNHDREMD-UHFFFAOYSA-N
XLogP5.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3908293
1-[(3-fluorophenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3886985
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3926082
1-[naphthalen-1-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4602608
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(2,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5004191
1-[isoquinolin-6-yl(naphthalen-1-yl)methyl]piperidine-2-carboxylic acid
CID 3665581
1-[(3-methylthiophen-2-yl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4316503
1-[quinolin-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3309289
1-[(3-bromophenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 4563543
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 3945509) is 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1cnc2ccccc2c1)c1cccc2ccccc12.
What is the InChIKey of 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IQOZJDNNHDREMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-25(29)23-13-6-14-27(23)24(19-15-18-8-2-4-12-22(18)26-16-19)21-11-5-9-17-7-1-3-10-20(17)21/h1-5,7-12,15-16,23-24H,6,13-14H2,(H,28,29).
What are the key properties of 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3945509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).