cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C25H35N6O+ — CID 6972338

IUPACcyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2cc(C[NH+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C
InChIInChI=1S/C25H34N6O/c1-17-12-13-19-14-20(25(32)26-24(19)18(17)2)15-30(21-8-4-3-5-9-21)16-23-27-28-29-31(23)22-10-6-7-11-22/h12-14,21-22H,3-11,15-16H2,1-2H3,(H,26,32)/p+1
InChIKeyOXNGJLIMMVBJDI-UHFFFAOYSA-O
MW435.60 g/mol
LogP3.16
Rot. Bonds6

About cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 6972338) has the molecular formula C25H35N6O+ and a molecular weight of 435.60 g/mol. Its IUPAC name is cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID6972338
Molecular FormulaC25H35N6O+
Molecular Weight435.60 g/mol
Exact Mass435.29
IUPAC Namecyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2cc(C[NH+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C
InChIInChI=1S/C25H34N6O/c1-17-12-13-19-14-20(25(32)26-24(19)18(17)2)15-30(21-8-4-3-5-9-21)16-23-27-28-29-31(23)22-10-6-7-11-22/h12-14,21-22H,3-11,15-16H2,1-2H3,(H,26,32)/p+1
InChIKeyOXNGJLIMMVBJDI-UHFFFAOYSA-O
XLogP3.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1170993
cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7382742
3-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-7,8-dimethyl-1H-quinolin-2-one
CID 6970526
(1-cyclohexyltetrazol-5-yl)methyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium
CID 7382731
cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
CID 7382645
3-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-hydroxypiperidin-1-ium-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 6971671
3-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1145243
3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3175270
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3203354
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-[(4-methoxyphenyl)methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3199976
3-[[benzyl(ethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3182696
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200443

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 6972338) is cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1ccc2cc(C[NH+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C.
What is the InChIKey of cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is OXNGJLIMMVBJDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H34N6O/c1-17-12-13-19-14-20(25(32)26-24(19)18(17)2)15-30(21-8-4-3-5-9-21)16-23-27-28-29-31(23)22-10-6-7-11-22/h12-14,21-22H,3-11,15-16H2,1-2H3,(H,26,32)/p+1.
What are the key properties of cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?
cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 435.60 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(1-cyclopentyltetrazol-5-yl)methyl]-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 6972338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).