2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C24H28N4O2 — CID 174211213

IUPAC2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESCC1CCc2c(ccc3c2nc(Cc2ccccc2)n3C2CCCNC2)N1C(=O)O
InChIInChI=1S/C24H28N4O2/c1-16-9-10-19-20(27(16)24(29)30)11-12-21-23(19)26-22(14-17-6-3-2-4-7-17)28(21)18-8-5-13-25-15-18/h2-4,6-7,11-12,16,18,25H,5,8-10,13-15H2,1H3,(H,29,30)
InChIKeyAZLZAIKKLSNZKP-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.37
Rot. Bonds3

About 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174211213) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
PubChem CID174211213
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESCC1CCc2c(ccc3c2nc(Cc2ccccc2)n3C2CCCNC2)N1C(=O)O
InChIInChI=1S/C24H28N4O2/c1-16-9-10-19-20(27(16)24(29)30)11-12-21-23(19)26-22(14-17-6-3-2-4-7-17)28(21)18-8-5-13-25-15-18/h2-4,6-7,11-12,16,18,25H,5,8-10,13-15H2,1H3,(H,29,30)
InChIKeyAZLZAIKKLSNZKP-UHFFFAOYSA-N
XLogP4.37
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid with MolForge

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Related Compounds

(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
rac 3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-N-(naphthalen-1-yl)piperidine-1-carboxamide
CID 18332650
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
(S)-3-((S)-1-(4-(5-(3-ethyl-2-oxoimidazolidin-1-yl)-1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 20703609
3-(1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 20703628
(S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-methyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 45486775
(S)-3-((S)-1-(4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)ethyl)-4-ethyl-N-(naphthalen-1-yl)piperazine-1-carboxamide
CID 45486793
4-Amino-5-methyl-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 135926113
4-Amino-6-(benzylamino)-3-(6-(4-methylpiperazin-1-yl)-1Hbenzo[d]imidazol-2-yl)quinolin-2(1H)-one
CID 135926116
7-Methyl-2-[(7-methylquinoxalin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
CID 146275580
7-Methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 146275589
7-Methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The IUPAC name of 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174211213) is 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The canonical SMILES for 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is CC1CCc2c(ccc3c2nc(Cc2ccccc2)n3C2CCCNC2)N1C(=O)O.
What is the InChIKey of 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The InChIKey is AZLZAIKKLSNZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-9-10-19-20(27(16)24(29)30)11-12-21-23(19)26-22(14-17-6-3-2-4-7-17)28(21)18-8-5-13-25-15-18/h2-4,6-7,11-12,16,18,25H,5,8-10,13-15H2,1H3,(H,29,30).
What are the key properties of 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 404.51 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 174211213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).