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

C19H29NO2 — CID 125044487

IUPAC(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
SMILESCCCC[C@H](C(=O)O)N1c2c(C)cccc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO2/c1-6-7-11-16(18(21)22)20-17-13(2)9-8-10-15(17)14(3)12-19(20,4)5/h8-10,14,16H,6-7,11-12H2,1-5H3,(H,21,22)/t14-,16-/m1/s1
InChIKeyILLBLMVFCCQQDK-GDBMZVCRSA-N
MW303.45 g/mol
LogP4.73
Rot. Bonds5

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

(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid (PubChem CID 125044487) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
PubChem CID125044487
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
SMILESCCCC[C@H](C(=O)O)N1c2c(C)cccc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO2/c1-6-7-11-16(18(21)22)20-17-13(2)9-8-10-15(17)14(3)12-19(20,4)5/h8-10,14,16H,6-7,11-12H2,1-5H3,(H,21,22)/t14-,16-/m1/s1
InChIKeyILLBLMVFCCQQDK-GDBMZVCRSA-N
XLogP4.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044403
2-(2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl)pentanehydrazide
CID 132650229
2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
CID 132650285
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)hexanehydrazide
CID 132651833
(2S)-2-[(4R)-6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanehydrazide
CID 125044610
5-[[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]methyl]furan-2-carboxylic acid
CID 125044623
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044341
1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
(2R)-2-[(2S,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124829667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The IUPAC name of (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid (CID 125044487) is (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid.
What is the SMILES notation for (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The canonical SMILES for (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid is CCCC[C@H](C(=O)O)N1c2c(C)cccc2[C@H](C)CC1(C)C.
What is the InChIKey of (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The InChIKey is ILLBLMVFCCQQDK-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H29NO2/c1-6-7-11-16(18(21)22)20-17-13(2)9-8-10-15(17)14(3)12-19(20,4)5/h8-10,14,16H,6-7,11-12H2,1-5H3,(H,21,22)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid has a molecular weight of 303.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid is sourced from PubChem (CID 125044487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).