[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C24H35N6O+ — CID 7382744

IUPAC[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCC[C@@H](c1nnnn1C(C)(C)C)[NH+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1
InChIInChI=1S/C24H34N6O/c1-6-20(22-26-27-28-30(22)24(3,4)5)29(19-12-7-8-13-19)15-18-14-17-11-9-10-16(2)21(17)25-23(18)31/h9-11,14,19-20H,6-8,12-13,15H2,1-5H3,(H,25,31)/p+1/t20-/m0/s1
InChIKeyLKBXTJXIQSFIIF-FQEVSTJZSA-O
MW423.59 g/mol
LogP3.06
Rot. Bonds6

About [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7382744) has the molecular formula C24H35N6O+ and a molecular weight of 423.59 g/mol. Its IUPAC name is [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID7382744
Molecular FormulaC24H35N6O+
Molecular Weight423.59 g/mol
Exact Mass423.29
IUPAC Name[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCC[C@@H](c1nnnn1C(C)(C)C)[NH+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1
InChIInChI=1S/C24H34N6O/c1-6-20(22-26-27-28-30(22)24(3,4)5)29(19-12-7-8-13-19)15-18-14-17-11-9-10-16(2)21(17)25-23(18)31/h9-11,14,19-20H,6-8,12-13,15H2,1-5H3,(H,25,31)/p+1/t20-/m0/s1
InChIKeyLKBXTJXIQSFIIF-FQEVSTJZSA-O
XLogP3.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium with MolForge

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Related Compounds

[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-(3-hydroxypropyl)-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383334
3-hydroxypropyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7099430
[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383314
[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium
CID 7382758
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(3-hydroxypropyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 7382767
3-[(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 3150139
ethyl 1-[(S)-(1-tert-butyltetrazol-5-yl)-(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 1074291
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-(2-phenylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3201154
3-[(R)-(1-tert-butyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 28503334
3-[[1-(1-benzyltetrazol-5-yl)propyl-cyclopentylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204662
3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204467
3-[(S)-(1-tert-butyltetrazol-5-yl)-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1074323

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7382744) is [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is CC[C@@H](c1nnnn1C(C)(C)C)[NH+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1.
What is the InChIKey of [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is LKBXTJXIQSFIIF-FQEVSTJZSA-O. The full InChI is InChI=1S/C24H34N6O/c1-6-20(22-26-27-28-30(22)24(3,4)5)29(19-12-7-8-13-19)15-18-14-17-11-9-10-16(2)21(17)25-23(18)31/h9-11,14,19-20H,6-8,12-13,15H2,1-5H3,(H,25,31)/p+1/t20-/m0/s1.
What are the key properties of [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 423.59 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).