methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate

C17H20N2O2 — CID 78995219

IUPACmethyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cc(C)nc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-12-10-13(14-6-3-4-7-15(14)18-12)11-19-9-5-8-16(19)17(20)21-2/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3
InChIKeyJBWFZDJYHWUSRC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.68
Rot. Bonds3

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

methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 78995219) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID78995219
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cc(C)nc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-12-10-13(14-6-3-4-7-15(14)18-12)11-19-9-5-8-16(19)17(20)21-2/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3
InChIKeyJBWFZDJYHWUSRC-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 2930961
methyl 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 593930
Vinconate
CID 68896
9-Carbethoxymethyl-3-(dimethylamino)-1,2,3,4-tetrahydrocarbazole hydrochloride
CID 12361856
Pleiocarpamine
CID 5385014
methyl 1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 494719
methyl (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 754466
methyl (1R,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 754467
methyl (1S,3S)-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 12789174
methyl (2S)-1-[[2-carbamoyl-4-(4-fluorophenyl)quinolin-7-yl]methyl]pyrrolidine-2-carboxylate
CID 89554784
Methyl (3alpha,14alpha,16alpha)-14,15-dihydroeburnamenine-14-carboxylate
CID 210143
methyl (3R)-2-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 57390276

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate (CID 78995219) is methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cc(C)nc2ccccc12.
What is the InChIKey of methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is JBWFZDJYHWUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-10-13(14-6-3-4-7-15(14)18-12)11-19-9-5-8-16(19)17(20)21-2/h3-4,6-7,10,16H,5,8-9,11H2,1-2H3.
What are the key properties of methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.68, 3 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)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 78995219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).