2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

C16H23NO2 — CID 65249302

IUPAC2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESCc1ccc2c(c1)CCCN2CCC(C)(C)C(=O)O
InChIInChI=1S/C16H23NO2/c1-12-6-7-14-13(11-12)5-4-9-17(14)10-8-16(2,3)15(18)19/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,19)
InChIKeyUBBNCTHPDOORKD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds4

About 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid

2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (PubChem CID 65249302) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
PubChem CID65249302
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
SMILESCc1ccc2c(c1)CCCN2CCC(C)(C)C(=O)O
InChIInChI=1S/C16H23NO2/c1-12-6-7-14-13(11-12)5-4-9-17(14)10-8-16(2,3)15(18)19/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,19)
InChIKeyUBBNCTHPDOORKD-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
N'-hydroxy-2,2-dimethyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanimidamide
CID 77063046
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 60840997
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
1-[1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662502
2-[1-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498006
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propan-2-amine
CID 60841491
2-(ethylamino)-2-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 64795808
2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 65247638

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid (CID 65249302) is 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is Cc1ccc2c(c1)CCCN2CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
The InChIKey is UBBNCTHPDOORKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-7-14-13(11-12)5-4-9-17(14)10-8-16(2,3)15(18)19/h6-7,11H,4-5,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid?
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid is sourced from PubChem (CID 65249302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).