methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate

C13H17NO2 — CID 115031353

IUPACmethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
SMILESCOC(=O)CC1CCN(C)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-14-8-7-10(9-13(15)16-2)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyVBGOKYHNOUVIHK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.17
Rot. Bonds2

About methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate

methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate (PubChem CID 115031353) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
PubChem CID115031353
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
SMILESCOC(=O)CC1CCN(C)c2ccccc21
InChIInChI=1S/C13H17NO2/c1-14-8-7-10(9-13(15)16-2)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3
InChIKeyVBGOKYHNOUVIHK-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
methyl 2-(1-methyl-2-oxopyrrolidin-3-yl)acetate;hydrate
CID 174373555
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672619
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
CID 167925297
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 102562629
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate?
The IUPAC name of methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate (CID 115031353) is methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate.
What is the SMILES notation for methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate?
The canonical SMILES for methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate is COC(=O)CC1CCN(C)c2ccccc21.
What is the InChIKey of methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate?
The InChIKey is VBGOKYHNOUVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-8-7-10(9-13(15)16-2)11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3.
What are the key properties of methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate?
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate is sourced from PubChem (CID 115031353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).