[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate

C26H25N7O3 — CID 67792784

IUPAC[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate
SMILESCCCc1nc(CC)c(OC(=O)O)n1Cc1ccc2nc(-c3ccccc3-c3nn[nH]n3)ccc2c1
InChIInChI=1S/C26H25N7O3/c1-3-7-23-28-20(4-2)25(36-26(34)35)33(23)15-16-10-12-21-17(14-16)11-13-22(27-21)18-8-5-6-9-19(18)24-29-31-32-30-24/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,34,35)(H,29,30,31,32)
InChIKeyLLZWFNARBWGNQN-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.90
Rot. Bonds8

About [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate

[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate (PubChem CID 67792784) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate
PubChem CID67792784
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate
SMILESCCCc1nc(CC)c(OC(=O)O)n1Cc1ccc2nc(-c3ccccc3-c3nn[nH]n3)ccc2c1
InChIInChI=1S/C26H25N7O3/c1-3-7-23-28-20(4-2)25(36-26(34)35)33(23)15-16-10-12-21-17(14-16)11-13-22(27-21)18-8-5-6-9-19(18)24-29-31-32-30-24/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,34,35)(H,29,30,31,32)
InChIKeyLLZWFNARBWGNQN-UHFFFAOYSA-N
XLogP4.90
TPSA131.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate with MolForge

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Related Compounds

3-[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl]propanoic acid
CID 18954332
5-(2-hydroxypropan-2-yl)-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazole-4-carboxylic acid
CID 90465956
2-butyl-5-chloro-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazole-4-carboxylic acid
CID 19925908
5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propylimidazole-4-carboxylic acid
CID 67593224
2,2-dimethylpropanoyloxymethyl 5-ethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19026348
1-[pentanoyl-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]amino]cyclohexane-1-carboxylic acid
CID 19960391
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 10834137
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
[2-butyl-6-oxo-1-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-4-pyridinyl] hydrogen carbonate;hydrochloride
CID 67704814
ethyl 5-(1-hydroxyethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 10790138
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl (2S)-2-amino-3-sulfanylpropanoate
CID 87443321

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate?
The IUPAC name of [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate (CID 67792784) is [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate?
The canonical SMILES for [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate is CCCc1nc(CC)c(OC(=O)O)n1Cc1ccc2nc(-c3ccccc3-c3nn[nH]n3)ccc2c1.
What is the InChIKey of [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate?
The InChIKey is LLZWFNARBWGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-3-7-23-28-20(4-2)25(36-26(34)35)33(23)15-16-10-12-21-17(14-16)11-13-22(27-21)18-8-5-6-9-19(18)24-29-31-32-30-24/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,34,35)(H,29,30,31,32).
What are the key properties of [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate?
[5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate has a molecular weight of 483.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-propyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]quinolin-6-yl]methyl]imidazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 67792784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).