tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate

C18H23N3O2 — CID 103759434

IUPACtert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-14-9-13(10-14)20-15-8-12-6-4-5-7-16(12)19-11-15/h4-8,11,13-14,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyPBUMOXSZZZIZFJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.70
Rot. Bonds3

About tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate (PubChem CID 103759434) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
PubChem CID103759434
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-14-9-13(10-14)20-15-8-12-6-4-5-7-16(12)19-11-15/h4-8,11,13-14,20H,9-10H2,1-3H3,(H,21,22)
InChIKeyPBUMOXSZZZIZFJ-UHFFFAOYSA-N
XLogP3.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]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-[3-(quinolin-3-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate (CID 103759434) is tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2cnc3ccccc3c2)C1.
What is the InChIKey of tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate?
The InChIKey is PBUMOXSZZZIZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-14-9-13(10-14)20-15-8-12-6-4-5-7-16(12)19-11-15/h4-8,11,13-14,20H,9-10H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103759434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).