cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium

C23H33N6O2+ — CID 7382647

IUPACcyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
SMILESCOCCn1nnnc1C[NH+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C23H32N6O2/c1-16-11-17(2)20-13-18(23(30)24-21(20)12-16)14-28(19-7-5-4-6-8-19)15-22-25-26-27-29(22)9-10-31-3/h11-13,19H,4-10,14-15H2,1-3H3,(H,24,30)/p+1
InChIKeyVDJFCNYNOJCNGY-UHFFFAOYSA-O
MW425.56 g/mol
LogP1.70
Rot. Bonds8

About cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium

cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium (PubChem CID 7382647) has the molecular formula C23H33N6O2+ and a molecular weight of 425.56 g/mol. Its IUPAC name is cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
PubChem CID7382647
Molecular FormulaC23H33N6O2+
Molecular Weight425.56 g/mol
Exact Mass425.27
IUPAC Namecyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
SMILESCOCCn1nnnc1C[NH+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C23H32N6O2/c1-16-11-17(2)20-13-18(23(30)24-21(20)12-16)14-28(19-7-5-4-6-8-19)15-22-25-26-27-29(22)9-10-31-3/h11-13,19H,4-10,14-15H2,1-3H3,(H,24,30)/p+1
InChIKeyVDJFCNYNOJCNGY-UHFFFAOYSA-O
XLogP1.70
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium with MolForge

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Related Compounds

cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
CID 7382645
3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199013
3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464070
3-[[cyclopentyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463915
3-[[cyclopentyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3186310
3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171383
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171400
3-[[cyclopentyl-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 3199024
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464110
cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6972338
3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3213027
cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7382742

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium?
The IUPAC name of cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium (CID 7382647) is cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium.
What is the SMILES notation for cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium?
The canonical SMILES for cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium is COCCn1nnnc1C[NH+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium?
The InChIKey is VDJFCNYNOJCNGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H32N6O2/c1-16-11-17(2)20-13-18(23(30)24-21(20)12-16)14-28(19-7-5-4-6-8-19)15-22-25-26-27-29(22)9-10-31-3/h11-13,19H,4-10,14-15H2,1-3H3,(H,24,30)/p+1.
What are the key properties of cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium?
cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium has a molecular weight of 425.56 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium is sourced from PubChem (CID 7382647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).