cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

C20H29N2O+ — CID 3300019

IUPACcyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2c(=O)c(C[NH+](C)C3CCCCC3)c(C)[nH]c2c1C
InChIInChI=1S/C20H28N2O/c1-13-10-11-17-19(14(13)2)21-15(3)18(20(17)23)12-22(4)16-8-6-5-7-9-16/h10-11,16H,5-9,12H2,1-4H3,(H,21,23)/p+1
InChIKeyPDOWJGFXBZAORY-UHFFFAOYSA-O
MW313.47 g/mol
LogP2.80
Rot. Bonds3

About cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 3300019) has the molecular formula C20H29N2O+ and a molecular weight of 313.47 g/mol. Its IUPAC name is cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID3300019
Molecular FormulaC20H29N2O+
Molecular Weight313.47 g/mol
Exact Mass313.23
IUPAC Namecyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCc1ccc2c(=O)c(C[NH+](C)C3CCCCC3)c(C)[nH]c2c1C
InChIInChI=1S/C20H28N2O/c1-13-10-11-17-19(14(13)2)21-15(3)18(20(17)23)12-22(4)16-8-6-5-7-9-16/h10-11,16H,5-9,12H2,1-4H3,(H,21,23)/p+1
InChIKeyPDOWJGFXBZAORY-UHFFFAOYSA-O
XLogP2.80
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium with MolForge

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Related Compounds

3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
CID 23960236
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555
3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
CID 139705258
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598
(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3635046
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 7067240
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3497343
dibenzyl-[(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3622129
7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3368624

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (CID 3300019) is cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1ccc2c(=O)c(C[NH+](C)C3CCCCC3)c(C)[nH]c2c1C.
What is the InChIKey of cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is PDOWJGFXBZAORY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N2O/c1-13-10-11-17-19(14(13)2)21-15(3)18(20(17)23)12-22(4)16-8-6-5-7-9-16/h10-11,16H,5-9,12H2,1-4H3,(H,21,23)/p+1.
What are the key properties of cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 313.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 3300019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).