1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid

C23H26N4O3 — CID 168974731

IUPAC1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid
SMILESCOCCCc1cnc(-c2ccnc3ccccc23)c(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C23H26N4O3/c1-30-14-4-5-17-15-25-21(19-8-11-24-20-7-3-2-6-18(19)20)22(26-17)27-12-9-16(10-13-27)23(28)29/h2-3,6-8,11,15-16H,4-5,9-10,12-14H2,1H3,(H,28,29)
InChIKeyLCBNAZKTFZVYMJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.57
Rot. Bonds7

About 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid

1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 168974731) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid
PubChem CID168974731
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid
SMILESCOCCCc1cnc(-c2ccnc3ccccc23)c(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C23H26N4O3/c1-30-14-4-5-17-15-25-21(19-8-11-24-20-7-3-2-6-18(19)20)22(26-17)27-12-9-16(10-13-27)23(28)29/h2-3,6-8,11,15-16H,4-5,9-10,12-14H2,1H3,(H,28,29)
InChIKeyLCBNAZKTFZVYMJ-UHFFFAOYSA-N
XLogP3.57
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-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-[3-(3-methoxypropyl)-6-quinolin-4-yl-1,2-dihydropyrazin-5-yl]piperidine-4-carboxylic acid
CID 168975185
1-[6-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168975090
1-[3-(7-fluoro-1-benzofuran-5-yl)-6-(3-methoxypropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168975113
1-[3-imidazo[1,5-a]pyridin-6-yl-6-(3-methoxypropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974863
1-[6-butyl-3-[3-fluoro-4-(2-methoxyethoxy)phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974908
1-[6-(3,3-difluorobutyl)-3-[4-(2-methoxyethoxy)phenyl]pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168975048
(2S,4S)-1-[3-(7-fluoro-1-benzofuran-5-yl)-6-(3-methoxypropyl)pyrazin-2-yl]-2-methylpiperidine-4-carboxylic acid
CID 168974798
1-[6-butyl-3-(7-fluoro-1-benzofuran-5-yl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974837
1-[3-(7-fluoro-1-benzofuran-5-yl)-6-pentylpyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974868
1-[3-[5-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974751
1-[3-[4-(cyclopropylmethoxy)phenyl]-6-(5,5,5-trifluoropentyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974829
1-[3-[4-(trifluoromethoxy)phenyl]-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 168974937

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid (CID 168974731) is 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid is COCCCc1cnc(-c2ccnc3ccccc23)c(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is LCBNAZKTFZVYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-14-4-5-17-15-25-21(19-8-11-24-20-7-3-2-6-18(19)20)22(26-17)27-12-9-16(10-13-27)23(28)29/h2-3,6-8,11,15-16H,4-5,9-10,12-14H2,1H3,(H,28,29).
What are the key properties of 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid?
1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 406.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxypropyl)-3-quinolin-4-ylpyrazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 168974731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).