methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate

C17H20N2O2 — CID 110433990

IUPACmethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1N1CCCC1
InChIInChI=1S/C17H20N2O2/c1-12-14(11-16(20)21-2)17(19-9-5-6-10-19)13-7-3-4-8-15(13)18-12/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyZMQWJCSETYNJKY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate

methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate (PubChem CID 110433990) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
PubChem CID110433990
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1N1CCCC1
InChIInChI=1S/C17H20N2O2/c1-12-14(11-16(20)21-2)17(19-9-5-6-10-19)13-7-3-4-8-15(13)18-12/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyZMQWJCSETYNJKY-UHFFFAOYSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
CID 110434020
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate
CID 66956368
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
methyl 2-[2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-3-yl]acetate
CID 110434013
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434107

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate (CID 110433990) is methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate is COC(=O)Cc1c(C)nc2ccccc2c1N1CCCC1.
What is the InChIKey of methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate?
The InChIKey is ZMQWJCSETYNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-14(11-16(20)21-2)17(19-9-5-6-10-19)13-7-3-4-8-15(13)18-12/h3-4,7-8H,5-6,9-11H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate?
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate has a molecular weight of 284.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate is sourced from PubChem (CID 110433990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).