2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid

C16H19NO2 — CID 84636605

IUPAC2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid
SMILESCc1cc(C)c2c(C)cc(C(C)(C)C(=O)O)nc2c1
InChIInChI=1S/C16H19NO2/c1-9-6-10(2)14-11(3)8-13(17-12(14)7-9)16(4,5)15(18)19/h6-8H,1-5H3,(H,18,19)
InChIKeyDWCNNYMYCQMQAX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.52
Rot. Bonds2

About 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid

2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid (PubChem CID 84636605) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid
PubChem CID84636605
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid
SMILESCc1cc(C)c2c(C)cc(C(C)(C)C(=O)O)nc2c1
InChIInChI=1S/C16H19NO2/c1-9-6-10(2)14-11(3)8-13(17-12(14)7-9)16(4,5)15(18)19/h6-8H,1-5H3,(H,18,19)
InChIKeyDWCNNYMYCQMQAX-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5,7-dimethylquinoline-4-carbohydrazide
CID 82448696
2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol
CID 82448690
(2-tert-butyl-5,7-dimethylquinolin-4-yl)methanethiol
CID 82448688
2-methyl-2-(9-methyl-2H-pyrano[2,3-g]quinolin-7-yl)propanoic acid
CID 67246109
2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84642426
2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84630830
N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448681
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82448658
2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82450852
4-amino-5,7-dimethylcinnoline-3-carboxylic acid
CID 82393494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid (CID 84636605) is 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid is Cc1cc(C)c2c(C)cc(C(C)(C)C(=O)O)nc2c1.
What is the InChIKey of 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid?
The InChIKey is DWCNNYMYCQMQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-9-6-10(2)14-11(3)8-13(17-12(14)7-9)16(4,5)15(18)19/h6-8H,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid?
2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid is sourced from PubChem (CID 84636605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).