3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate

C20H23N5O2S — CID 10200834

IUPAC3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate
SMILESNc1ccc2nccc(NCCCOC(=O)Nc3ncc(C4CCC4)s3)c2c1
InChIInChI=1S/C20H23N5O2S/c21-14-5-6-16-15(11-14)17(7-9-23-16)22-8-2-10-27-20(26)25-19-24-12-18(28-19)13-3-1-4-13/h5-7,9,11-13H,1-4,8,10,21H2,(H,22,23)(H,24,25,26)
InChIKeyVDDFVVQTSGGIQK-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.59
Rot. Bonds7

About 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate

3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate (PubChem CID 10200834) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate
PubChem CID10200834
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate
SMILESNc1ccc2nccc(NCCCOC(=O)Nc3ncc(C4CCC4)s3)c2c1
InChIInChI=1S/C20H23N5O2S/c21-14-5-6-16-15(11-14)17(7-9-23-16)22-8-2-10-27-20(26)25-19-24-12-18(28-19)13-3-1-4-13/h5-7,9,11-13H,1-4,8,10,21H2,(H,22,23)(H,24,25,26)
InChIKeyVDDFVVQTSGGIQK-UHFFFAOYSA-N
XLogP4.59
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-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 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate (CID 10200834) is 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate is Nc1ccc2nccc(NCCCOC(=O)Nc3ncc(C4CCC4)s3)c2c1.
What is the InChIKey of 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is VDDFVVQTSGGIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c21-14-5-6-16-15(11-14)17(7-9-23-16)22-8-2-10-27-20(26)25-19-24-12-18(28-19)13-3-1-4-13/h5-7,9,11-13H,1-4,8,10,21H2,(H,22,23)(H,24,25,26).
What are the key properties of 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate?
3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 397.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminoquinolin-4-yl)amino]propyl N-(5-cyclobutyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 10200834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).