2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid

C18H27NO3 — CID 132650285

IUPAC2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1c2c(OC)cccc2C(C)CC1(C)C
InChIInChI=1S/C18H27NO3/c1-6-8-14(17(20)21)19-16-13(9-7-10-15(16)22-5)12(2)11-18(19,3)4/h7,9-10,12,14H,6,8,11H2,1-5H3,(H,20,21)
InChIKeyISWPTTUXTGXZAD-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.04
Rot. Bonds5

About 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid

2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid (PubChem CID 132650285) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
PubChem CID132650285
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1c2c(OC)cccc2C(C)CC1(C)C
InChIInChI=1S/C18H27NO3/c1-6-8-14(17(20)21)19-16-13(9-7-10-15(16)22-5)12(2)11-18(19,3)4/h7,9-10,12,14H,6,8,11H2,1-5H3,(H,20,21)
InChIKeyISWPTTUXTGXZAD-UHFFFAOYSA-N
XLogP4.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044487
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
CID 132650294
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044403
5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 132651366
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
CID 132650701
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
CID 125044410
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid?
The IUPAC name of 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid (CID 132650285) is 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid?
The canonical SMILES for 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid is CCCC(C(=O)O)N1c2c(OC)cccc2C(C)CC1(C)C.
What is the InChIKey of 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid?
The InChIKey is ISWPTTUXTGXZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-6-8-14(17(20)21)19-16-13(9-7-10-15(16)22-5)12(2)11-18(19,3)4/h7,9-10,12,14H,6,8,11H2,1-5H3,(H,20,21).
What are the key properties of 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid?
2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid has a molecular weight of 305.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid is sourced from PubChem (CID 132650285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).