(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid

C19H29NO3 — CID 125044518

IUPAC(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
SMILESCCCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO3/c1-6-7-10-15(18(21)22)20-17-14(9-8-11-16(17)23-5)13(2)12-19(20,3)4/h8-9,11,13,15H,6-7,10,12H2,1-5H3,(H,21,22)/t13-,15-/m1/s1
InChIKeyJXZRGYKHCKLWAV-UKRRQHHQSA-N
MW319.45 g/mol
LogP4.43
Rot. Bonds6

About (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid

(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid (PubChem CID 125044518) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
PubChem CID125044518
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
SMILESCCCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO3/c1-6-7-10-15(18(21)22)20-17-14(9-8-11-16(17)23-5)13(2)12-19(20,3)4/h8-9,11,13,15H,6-7,10,12H2,1-5H3,(H,21,22)/t13-,15-/m1/s1
InChIKeyJXZRGYKHCKLWAV-UKRRQHHQSA-N
XLogP4.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid with MolForge

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Related Compounds

2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
CID 132650285
(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044487
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
methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
CID 132650294
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
5-[(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 132651366
(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
CID 125044610
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
CID 124564878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The IUPAC name of (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid (CID 125044518) is (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid.
What is the SMILES notation for (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The canonical SMILES for (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid is CCCC[C@H](C(=O)O)N1c2c(OC)cccc2[C@H](C)CC1(C)C.
What is the InChIKey of (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The InChIKey is JXZRGYKHCKLWAV-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-7-10-15(18(21)22)20-17-14(9-8-11-16(17)23-5)13(2)12-19(20,3)4/h8-9,11,13,15H,6-7,10,12H2,1-5H3,(H,21,22)/t13-,15-/m1/s1.
What are the key properties of (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid has a molecular weight of 319.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid is sourced from PubChem (CID 125044518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).