methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate

C18H27NO3 — CID 132650294

IUPACmethyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1c2c(OC)cccc2C(C)CC1(C)C
InChIInChI=1S/C18H27NO3/c1-12-11-17(2,3)19(18(4,5)16(20)22-7)15-13(12)9-8-10-14(15)21-6/h8-10,12H,11H2,1-7H3
InChIKeyQBAUUSBOKPIIFT-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.74
Rot. Bonds3

About methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate

methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate (PubChem CID 132650294) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
PubChem CID132650294
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namemethyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1c2c(OC)cccc2C(C)CC1(C)C
InChIInChI=1S/C18H27NO3/c1-12-11-17(2,3)19(18(4,5)16(20)22-7)15-13(12)9-8-10-14(15)21-6/h8-10,12H,11H2,1-7H3
InChIKeyQBAUUSBOKPIIFT-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132649714
methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate
CID 125044510
2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
CID 132650285
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 132651366
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 50862000
7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202977
1-[2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 99784805
[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183998
(2,6-dimethoxyphenyl)-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740794
2-(cyclohexylamino)-1-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
CID 1459384

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate (CID 132650294) is methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)N1c2c(OC)cccc2C(C)CC1(C)C.
What is the InChIKey of methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate?
The InChIKey is QBAUUSBOKPIIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12-11-17(2,3)19(18(4,5)16(20)22-7)15-13(12)9-8-10-14(15)21-6/h8-10,12H,11H2,1-7H3.
What are the key properties of methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate?
methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate has a molecular weight of 305.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 132650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).