7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide

C18H18FN3O2S — CID 110628549

IUPAC7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2ccc(F)cc2[nH]c1=O)c1nccs1
InChIInChI=1S/C18H18FN3O2S/c1-10(2)7-15(18-20-5-6-25-18)22-17(24)13-8-11-3-4-12(19)9-14(11)21-16(13)23/h3-6,8-10,15H,7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNFVHLHGAYYXHLN-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.64
Rot. Bonds5

About 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide

7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110628549) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110628549
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2ccc(F)cc2[nH]c1=O)c1nccs1
InChIInChI=1S/C18H18FN3O2S/c1-10(2)7-15(18-20-5-6-25-18)22-17(24)13-8-11-3-4-12(19)9-14(11)21-16(13)23/h3-6,8-10,15H,7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNFVHLHGAYYXHLN-UHFFFAOYSA-N
XLogP3.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-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 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide (CID 110628549) is 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide is CC(C)CC(NC(=O)c1cc2ccc(F)cc2[nH]c1=O)c1nccs1.
What is the InChIKey of 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NFVHLHGAYYXHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-10(2)7-15(18-20-5-6-25-18)22-17(24)13-8-11-3-4-12(19)9-14(11)21-16(13)23/h3-6,8-10,15H,7H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide?
7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110628549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).