methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate

C16H18N2O2 — CID 78983917

IUPACmethyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc3ccccc23)C1
InChIInChI=1S/C16H18N2O2/c1-11-9-15(13-5-3-4-6-14(13)17-11)18-8-7-12(10-18)16(19)20-2/h3-6,9,12H,7-8,10H2,1-2H3
InChIKeyMTAZAJIIHPKTKA-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.54
Rot. Bonds2

About methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate

methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 78983917) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
PubChem CID78983917
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc3ccccc23)C1
InChIInChI=1S/C16H18N2O2/c1-11-9-15(13-5-3-4-6-14(13)17-11)18-8-7-12(10-18)16(19)20-2/h3-6,9,12H,7-8,10H2,1-2H3
InChIKeyMTAZAJIIHPKTKA-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
CID 103534309
4-(3-bromo-4-methylpiperidin-1-yl)-2-methylquinoline
CID 102961080
4-methyl-1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 63721046
methyl 1-(2-methyl-8-nitroquinolin-4-yl)piperidine-4-carboxylate
CID 75497619
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-3-carboxylic acid
CID 135116153
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
methyl (3R)-1-(3-ethyl-2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 133438071
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate (CID 78983917) is methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2cc(C)nc3ccccc23)C1.
What is the InChIKey of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is MTAZAJIIHPKTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-15(13-5-3-4-6-14(13)17-11)18-8-7-12(10-18)16(19)20-2/h3-6,9,12H,7-8,10H2,1-2H3.
What are the key properties of methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate?
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78983917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).