(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid

C19H29NO2 — CID 125044403

IUPAC(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
SMILESCCCC[C@@H](C(=O)O)N1c2cc(C)ccc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO2/c1-6-7-8-16(18(21)22)20-17-11-13(2)9-10-15(17)14(3)12-19(20,4)5/h9-11,14,16H,6-8,12H2,1-5H3,(H,21,22)/t14-,16+/m1/s1
InChIKeyDPBMGAGSUAANJM-ZBFHGGJFSA-N
MW303.45 g/mol
LogP4.73
Rot. Bonds5

About (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid

(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid (PubChem CID 125044403) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
PubChem CID125044403
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
SMILESCCCC[C@@H](C(=O)O)N1c2cc(C)ccc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO2/c1-6-7-8-16(18(21)22)20-17-11-13(2)9-10-15(17)14(3)12-19(20,4)5/h9-11,14,16H,6-8,12H2,1-5H3,(H,21,22)/t14-,16+/m1/s1
InChIKeyDPBMGAGSUAANJM-ZBFHGGJFSA-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 (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid with MolForge

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Related Compounds

(2R)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044487
(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
CID 125044444
(2R)-2-[(4R)-8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]hexanoic acid
CID 125044518
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
[1-acetyloxy-3-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)propyl] acetate
CID 57307043
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
methyl (2S)-2-[(4R)-2,2,4,8-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoate
CID 125044674
2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoic acid
CID 132650285
(2R)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044340
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoic acid
CID 125044341
2,2,4,7-tetramethyl-1-(2-sulfosulfanylethyl)-3,4-dihydroquinoline
CID 70544218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The IUPAC name of (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid (CID 125044403) is (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The canonical SMILES for (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid is CCCC[C@@H](C(=O)O)N1c2cc(C)ccc2[C@H](C)CC1(C)C.
What is the InChIKey of (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
The InChIKey is DPBMGAGSUAANJM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29NO2/c1-6-7-8-16(18(21)22)20-17-11-13(2)9-10-15(17)14(3)12-19(20,4)5/h9-11,14,16H,6-8,12H2,1-5H3,(H,21,22)/t14-,16+/m1/s1.
What are the key properties of (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid?
(2S)-2-[(4R)-2,2,4,7-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 (2S)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]hexanoic acid is sourced from PubChem (CID 125044403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).