methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate

C19H29NO2 — CID 125044510

IUPACmethyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO2/c1-12-9-15-14(3)11-18(4,5)20(16(15)10-13(12)2)19(6,7)17(21)22-8/h9-10,14H,11H2,1-8H3/t14-/m1/s1
InChIKeyJOBZPHHSTCNHSP-CQSZACIVSA-N
MW303.45 g/mol
LogP4.35
Rot. Bonds2

About methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate

methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate (PubChem CID 125044510) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate
PubChem CID125044510
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namemethyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H29NO2/c1-12-9-15-14(3)11-18(4,5)20(16(15)10-13(12)2)19(6,7)17(21)22-8/h9-10,14H,11H2,1-8H3/t14-/m1/s1
InChIKeyJOBZPHHSTCNHSP-CQSZACIVSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate with MolForge

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Related Compounds

methyl 2-methyl-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoate
CID 132649714
methyl 2-(8-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-methylpropanoate
CID 132650294
(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
(2S)-3-methyl-2-[(4S)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044601
(2S)-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]butanoic acid
CID 125044392
(4R)-N-cyclohexyl-2,2,4,6,7-pentamethyl-3,4-dihydroquinoline-1-carboxamide
CID 6546924
2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202967
5-[2-(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl)ethynylsulfanyl]benzene-1,3-dicarboxylic acid
CID 59942886
7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202977
2-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propanoic acid
CID 133219822
methyl 4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzoate
CID 50858676

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate (CID 125044510) is methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate is COC(=O)C(C)(C)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C.
What is the InChIKey of methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate?
The InChIKey is JOBZPHHSTCNHSP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29NO2/c1-12-9-15-14(3)11-18(4,5)20(16(15)10-13(12)2)19(6,7)17(21)22-8/h9-10,14H,11H2,1-8H3/t14-/m1/s1.
What are the key properties of methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate?
methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate has a molecular weight of 303.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(4R)-2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl]propanoate is sourced from PubChem (CID 125044510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).