2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid

C12H15NO2 — CID 83753824

IUPAC2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
SMILESCc1ccc2c(c1)N(CC(=O)O)CCC2
InChIInChI=1S/C12H15NO2/c1-9-4-5-10-3-2-6-13(8-12(14)15)11(10)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyMIODJZKZPBTLMK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.83
Rot. Bonds2

About 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid

2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid (PubChem CID 83753824) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
PubChem CID83753824
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
SMILESCc1ccc2c(c1)N(CC(=O)O)CCC2
InChIInChI=1S/C12H15NO2/c1-9-4-5-10-3-2-6-13(8-12(14)15)11(10)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyMIODJZKZPBTLMK-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic 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

2-(1,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)acetic acid
CID 84627799
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 126815613
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
1-[(2E,4Z)-2,3-dimethylhepta-2,4,6-trienyl]-7-methyl-3,4-dihydro-2H-quinoline
CID 118519008
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 121204232
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
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)acetyl]benzohydrazide
CID 8593415
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279778

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The IUPAC name of 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid (CID 83753824) is 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid is Cc1ccc2c(c1)N(CC(=O)O)CCC2.
What is the InChIKey of 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The InChIKey is MIODJZKZPBTLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-5-10-3-2-6-13(8-12(14)15)11(10)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,14,15).
What are the key properties of 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid is sourced from PubChem (CID 83753824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).