1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide

C19H22N4O2S — CID 97401432

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
SMILESCc1nc(CN2C(=O)CC3(CCN(C(N)=O)CC3)c3ccccc32)cs1
InChIInChI=1S/C19H22N4O2S/c1-13-21-14(12-26-13)11-23-16-5-3-2-4-15(16)19(10-17(23)24)6-8-22(9-7-19)18(20)25/h2-5,12H,6-11H2,1H3,(H2,20,25)
InChIKeyMHTHKJRRENUBAZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.80
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide (PubChem CID 97401432) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
PubChem CID97401432
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide
SMILESCc1nc(CN2C(=O)CC3(CCN(C(N)=O)CC3)c3ccccc32)cs1
InChIInChI=1S/C19H22N4O2S/c1-13-21-14(12-26-13)11-23-16-5-3-2-4-15(16)19(10-17(23)24)6-8-22(9-7-19)18(20)25/h2-5,12H,6-11H2,1H3,(H2,20,25)
InChIKeyMHTHKJRRENUBAZ-UHFFFAOYSA-N
XLogP2.80
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide 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 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide (CID 97401432) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide is Cc1nc(CN2C(=O)CC3(CCN(C(N)=O)CC3)c3ccccc32)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide?
The InChIKey is MHTHKJRRENUBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-21-14(12-26-13)11-23-16-5-3-2-4-15(16)19(10-17(23)24)6-8-22(9-7-19)18(20)25/h2-5,12H,6-11H2,1H3,(H2,20,25).
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 97401432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).