(7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C25H28N8O2 — CID 138472712

IUPAC(7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESC[C@H]1CCc2c(ccc3c2nc(Cc2ccccc2)n3[C@@H]2CCCN(c3nn[nH]n3)C2)N1C(=O)O
InChIInChI=1S/C25H28N8O2/c1-16-9-10-19-20(32(16)25(34)35)11-12-21-23(19)26-22(14-17-6-3-2-4-7-17)33(21)18-8-5-13-31(15-18)24-27-29-30-28-24/h2-4,6-7,11-12,16,18H,5,8-10,13-15H2,1H3,(H,34,35)(H,27,28,29,30)/t16-,18+/m0/s1
InChIKeyGJCDZEILQCVLPX-FUHWJXTLSA-N
MW472.55 g/mol
LogP3.80
Rot. Bonds4

About (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

(7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 138472712) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name(7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
PubChem CID138472712
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name(7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESC[C@H]1CCc2c(ccc3c2nc(Cc2ccccc2)n3[C@@H]2CCCN(c3nn[nH]n3)C2)N1C(=O)O
InChIInChI=1S/C25H28N8O2/c1-16-9-10-19-20(32(16)25(34)35)11-12-21-23(19)26-22(14-17-6-3-2-4-7-17)33(21)18-8-5-13-31(15-18)24-27-29-30-28-24/h2-4,6-7,11-12,16,18H,5,8-10,13-15H2,1H3,(H,34,35)(H,27,28,29,30)/t16-,18+/m0/s1
InChIKeyGJCDZEILQCVLPX-FUHWJXTLSA-N
XLogP3.80
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-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

Frequently Asked Questions

What is the IUPAC name of (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The IUPAC name of (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 138472712) is (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.
What is the SMILES notation for (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The canonical SMILES for (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is C[C@H]1CCc2c(ccc3c2nc(Cc2ccccc2)n3[C@@H]2CCCN(c3nn[nH]n3)C2)N1C(=O)O.
What is the InChIKey of (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The InChIKey is GJCDZEILQCVLPX-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-16-9-10-19-20(32(16)25(34)35)11-12-21-23(19)26-22(14-17-6-3-2-4-7-17)33(21)18-8-5-13-31(15-18)24-27-29-30-28-24/h2-4,6-7,11-12,16,18H,5,8-10,13-15H2,1H3,(H,34,35)(H,27,28,29,30)/t16-,18+/m0/s1.
What are the key properties of (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
(7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 472.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-benzyl-7-methyl-3-[(3R)-1-(2H-tetrazol-5-yl)piperidin-3-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 138472712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).