tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate

C25H28N2O2 — CID 122441824

IUPACtert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate
SMILESCc1cccc2cc(C3CCCN3C(=O)OC(C)(C)C)c(-c3ccccc3)nc12
InChIInChI=1S/C25H28N2O2/c1-17-10-8-13-19-16-20(23(26-22(17)19)18-11-6-5-7-12-18)21-14-9-15-27(21)24(28)29-25(2,3)4/h5-8,10-13,16,21H,9,14-15H2,1-4H3
InChIKeyDPCBNYBKOYXYOE-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.28
Rot. Bonds2

About tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 122441824) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate
PubChem CID122441824
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Nametert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate
SMILESCc1cccc2cc(C3CCCN3C(=O)OC(C)(C)C)c(-c3ccccc3)nc12
InChIInChI=1S/C25H28N2O2/c1-17-10-8-13-19-16-20(23(26-22(17)19)18-11-6-5-7-12-18)21-14-9-15-27(21)24(28)29-25(2,3)4/h5-8,10-13,16,21H,9,14-15H2,1-4H3
InChIKeyDPCBNYBKOYXYOE-UHFFFAOYSA-N
XLogP6.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate 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

tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 69255350
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 130454621
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
tert-butyl (2R)-2-(2-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 53469483
tert-butyl 2-[5-acetamido-4-methyl-6-(4-phenoxyphenyl)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 130295459
tert-butyl (2S)-2-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxylate
CID 164551558
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
tert-butyl 2-(3-ethyl-2-methylphenyl)pyrrolidine-1-carboxylate
CID 143322624
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate (CID 122441824) is tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate is Cc1cccc2cc(C3CCCN3C(=O)OC(C)(C)C)c(-c3ccccc3)nc12.
What is the InChIKey of tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is DPCBNYBKOYXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17-10-8-13-19-16-20(23(26-22(17)19)18-11-6-5-7-12-18)21-14-9-15-27(21)24(28)29-25(2,3)4/h5-8,10-13,16,21H,9,14-15H2,1-4H3.
What are the key properties of tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(8-methyl-2-phenylquinolin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 122441824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).