methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate

C19H27NO3 — CID 132650701

IUPACmethyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
SMILESCCCC(C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C
InChIInChI=1S/C19H27NO3/c1-7-9-15(18(21)23-6)20-17-14(10-8-11-16(17)22-5)13(2)12-19(20,3)4/h8,10-12,15H,7,9H2,1-6H3
InChIKeyNQWWGMOMMWAHNB-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.04
Rot. Bonds5

About methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate

methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate (PubChem CID 132650701) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
PubChem CID132650701
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
SMILESCCCC(C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C
InChIInChI=1S/C19H27NO3/c1-7-9-15(18(21)23-6)20-17-14(10-8-11-16(17)22-5)13(2)12-19(20,3)4/h8,10-12,15H,7,9H2,1-6H3
InChIKeyNQWWGMOMMWAHNB-UHFFFAOYSA-N
XLogP4.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate
CID 132649846
(8-methoxy-2,2,4-trimethylquinolin-1-yl)-(2-methylphenyl)methanone
CID 16584718
2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
CID 132650285
methyl (2R)-2-pyrrol-1-ylpentanoate
CID 101386309
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
[6-(2-methoxyphenyl)-1,2,2,4-tetramethylquinolin-5-yl]methyl prop-2-enoate
CID 58026791
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
methyl 2-(1,3-dioxoisoindol-2-yl)heptanoate
CID 101207744
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
methyl 2-(4-phenylpiperazin-1-yl)pentanoate
CID 43906551
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate?
The IUPAC name of methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate (CID 132650701) is methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate.
What is the SMILES notation for methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate?
The canonical SMILES for methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate is CCCC(C(=O)OC)N1c2c(OC)cccc2C(C)=CC1(C)C.
What is the InChIKey of methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate?
The InChIKey is NQWWGMOMMWAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-7-9-15(18(21)23-6)20-17-14(10-8-11-16(17)22-5)13(2)12-19(20,3)4/h8,10-12,15H,7,9H2,1-6H3.
What are the key properties of methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate?
methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate has a molecular weight of 317.43 g/mol, XLogP of 4.04, 5 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-trimethylquinolin-1-yl)pentanoate is sourced from PubChem (CID 132650701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).