3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one

C14H17NO2 — CID 139705258

IUPAC3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
SMILESCOCc1c(C)[nH]c2c(C)c(C)ccc2c1=O
InChIInChI=1S/C14H17NO2/c1-8-5-6-11-13(9(8)2)15-10(3)12(7-17-4)14(11)16/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyAYKDNBQRVJDYCY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.60
Rot. Bonds2

About 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one

3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one (PubChem CID 139705258) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
PubChem CID139705258
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
SMILESCOCc1c(C)[nH]c2c(C)c(C)ccc2c1=O
InChIInChI=1S/C14H17NO2/c1-8-5-6-11-13(9(8)2)15-10(3)12(7-17-4)14(11)16/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyAYKDNBQRVJDYCY-UHFFFAOYSA-N
XLogP2.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
CID 23960236
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82495253
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
2-(4-hydroxy-4-methyl-3-oxopent-1-enyl)-7,8-dimethyl-3-methylsulfonyl-1H-quinolin-4-one
CID 139705231
(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
3-ethyl-6,7-dimethyl-1H-indole-2-carboxylic acid
CID 84622566

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one (CID 139705258) is 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one is COCc1c(C)[nH]c2c(C)c(C)ccc2c1=O.
What is the InChIKey of 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one?
The InChIKey is AYKDNBQRVJDYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-5-6-11-13(9(8)2)15-10(3)12(7-17-4)14(11)16/h5-6H,7H2,1-4H3,(H,15,16).
What are the key properties of 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one?
3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one has a molecular weight of 231.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 139705258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).