1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid

C24H24N4O3 — CID 135698380

IUPAC1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCc2ccc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H24N4O3/c29-23-18(14-17-3-1-2-4-19(17)27-23)22-25-20-6-5-15(13-21(20)26-22)7-10-28-11-8-16(9-12-28)24(30)31/h1-6,13-14,16H,7-12H2,(H,25,26)(H,27,29)(H,30,31)
InChIKeyMLQGGNBOBVRAAJ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid

1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid (PubChem CID 135698380) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid
PubChem CID135698380
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCc2ccc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H24N4O3/c29-23-18(14-17-3-1-2-4-19(17)27-23)22-25-20-6-5-15(13-21(20)26-22)7-10-28-11-8-16(9-12-28)24(30)31/h1-6,13-14,16H,7-12H2,(H,25,26)(H,27,29)(H,30,31)
InChIKeyMLQGGNBOBVRAAJ-UHFFFAOYSA-N
XLogP3.41
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 135698385
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 141156895
2-(methylsulfonylmethyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 102317477
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980571
3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980545
ethane;N-ethyl-4-methoxypent-4-en-1-amine;1-[2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]ethyl]piperidine-4-carboxylic acid
CID 142218477
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 142670740
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid (CID 135698380) is 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCc2ccc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid?
The InChIKey is MLQGGNBOBVRAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-23-18(14-17-3-1-2-4-19(17)27-23)22-25-20-6-5-15(13-21(20)26-22)7-10-28-11-8-16(9-12-28)24(30)31/h1-6,13-14,16H,7-12H2,(H,25,26)(H,27,29)(H,30,31).
What are the key properties of 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid?
1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 416.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 135698380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).