1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid

C23H25N3O2 — CID 5125163

IUPAC1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cnc3ccccc3c2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C23H25N3O2/c1-2-16-10-11-20(24-14-16)22(26-12-6-5-9-21(26)23(27)28)18-13-17-7-3-4-8-19(17)25-15-18/h3-4,7-8,10-11,13-15,21-22H,2,5-6,9,12H2,1H3,(H,27,28)
InChIKeyMSMAURUAYIMVTP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.22
Rot. Bonds5

About 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid

1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 5125163) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
PubChem CID5125163
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cnc3ccccc3c2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C23H25N3O2/c1-2-16-10-11-20(24-14-16)22(26-12-6-5-9-21(26)23(27)28)18-13-17-7-3-4-8-19(17)25-15-18/h3-4,7-8,10-11,13-15,21-22H,2,5-6,9,12H2,1H3,(H,27,28)
InChIKeyMSMAURUAYIMVTP-UHFFFAOYSA-N
XLogP4.22
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3953500
1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3978336
1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 4261190
1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4042220
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3926082
1-[(3-chlorophenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3349109
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[quinolin-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3309289
1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3908293
1-[(2,5-dimethoxyphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5004191
1-[(3-fluorophenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3886985

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid (CID 5125163) is 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid is CCc1ccc(C(c2cnc3ccccc3c2)N2CCCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is MSMAURUAYIMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-16-10-11-20(24-14-16)22(26-12-6-5-9-21(26)23(27)28)18-13-17-7-3-4-8-19(17)25-15-18/h3-4,7-8,10-11,13-15,21-22H,2,5-6,9,12H2,1H3,(H,27,28).
What are the key properties of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid?
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5125163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).