[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium

C22H33N6O2+ — CID 7382758

IUPAC[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium
SMILESCC[C@H](c1nnnn1C(C)(C)C)[NH+](CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C22H32N6O2/c1-7-18(20-24-25-26-28(20)22(4,5)6)27(8-9-29)13-17-12-16-11-14(2)10-15(3)19(16)23-21(17)30/h10-12,18,29H,7-9,13H2,1-6H3,(H,23,30)/p+1/t18-/m1/s1
InChIKeyNJMBKMIMWFJOIF-GOSISDBHSA-O
MW413.55 g/mol
LogP1.41
Rot. Bonds7

About [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium

[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium (PubChem CID 7382758) has the molecular formula C22H33N6O2+ and a molecular weight of 413.55 g/mol. Its IUPAC name is [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium
PubChem CID7382758
Molecular FormulaC22H33N6O2+
Molecular Weight413.55 g/mol
Exact Mass413.27
IUPAC Name[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium
SMILESCC[C@H](c1nnnn1C(C)(C)C)[NH+](CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C22H32N6O2/c1-7-18(20-24-25-26-28(20)22(4,5)6)27(8-9-29)13-17-12-16-11-14(2)10-15(3)19(16)23-21(17)30/h10-12,18,29H,7-9,13H2,1-6H3,(H,23,30)/p+1/t18-/m1/s1
InChIKeyNJMBKMIMWFJOIF-GOSISDBHSA-O
XLogP1.41
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-hydroxyethyl)-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7382754
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
2-hydroxyethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7382683
[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-(3-hydroxypropyl)-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383334
[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383314
[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7383230
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204216
3-[[2-hydroxyethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23829509
[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7382744
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899755
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204177
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 51625369

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium?
The IUPAC name of [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium (CID 7382758) is [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium.
What is the SMILES notation for [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium?
The canonical SMILES for [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium is CC[C@H](c1nnnn1C(C)(C)C)[NH+](CCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium?
The InChIKey is NJMBKMIMWFJOIF-GOSISDBHSA-O. The full InChI is InChI=1S/C22H32N6O2/c1-7-18(20-24-25-26-28(20)22(4,5)6)27(8-9-29)13-17-12-16-11-14(2)10-15(3)19(16)23-21(17)30/h10-12,18,29H,7-9,13H2,1-6H3,(H,23,30)/p+1/t18-/m1/s1.
What are the key properties of [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium?
[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium has a molecular weight of 413.55 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(2-hydroxyethyl)azanium is sourced from PubChem (CID 7382758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).