tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

C26H32N6O2 — CID 58547135

IUPACtert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C26H32N6O2/c1-26(2,3)34-25(33)30(4)20-11-14-31(17-20)24-23(27-12-13-28-24)19-15-32(16-19)22-10-9-18-7-5-6-8-21(18)29-22/h5-10,12-13,19-20H,11,14-17H2,1-4H3
InChIKeySCYISXNOJNOZQW-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (PubChem CID 58547135) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
PubChem CID58547135
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Nametert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C26H32N6O2/c1-26(2,3)34-25(33)30(4)20-11-14-31(17-20)24-23(27-12-13-28-24)19-15-32(16-19)22-10-9-18-7-5-6-8-21(18)29-22/h5-10,12-13,19-20H,11,14-17H2,1-4H3
InChIKeySCYISXNOJNOZQW-UHFFFAOYSA-N
XLogP4.07
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate (CID 58547135) is tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is SCYISXNOJNOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-26(2,3)34-25(33)30(4)20-11-14-31(17-20)24-23(27-12-13-28-24)19-15-32(16-19)22-10-9-18-7-5-6-8-21(18)29-22/h5-10,12-13,19-20H,11,14-17H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 460.58 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58547135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).