tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate

C19H24N2O2 — CID 162400847

IUPACtert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C19H24N2O2/c1-13-12-16(20-15-9-6-5-8-14(13)15)17-10-7-11-21(17)18(22)23-19(2,3)4/h5-6,8-9,12,17H,7,10-11H2,1-4H3/t17-/m1/s1
InChIKeyHQJUBFKQGHQDHE-QGZVFWFLSA-N
MW312.41 g/mol
LogP4.62
Rot. Bonds1

About tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 162400847) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate
PubChem CID162400847
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C19H24N2O2/c1-13-12-16(20-15-9-6-5-8-14(13)15)17-10-7-11-21(17)18(22)23-19(2,3)4/h5-6,8-9,12,17H,7,10-11H2,1-4H3/t17-/m1/s1
InChIKeyHQJUBFKQGHQDHE-QGZVFWFLSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate (CID 162400847) is tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate is Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)nc2ccccc12.
What is the InChIKey of tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is HQJUBFKQGHQDHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-12-16(20-15-9-6-5-8-14(13)15)17-10-7-11-21(17)18(22)23-19(2,3)4/h5-6,8-9,12,17H,7,10-11H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(4-methylquinolin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162400847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).