4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide

C25H25FN4O3S — CID 51038807

IUPAC4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide
SMILESCNC(=O)c1cccc2c1nc(Nc1cccc(OCCN3CCOCC3)c1F)c1cscc12
InChIInChI=1S/C25H25FN4O3S/c1-27-25(31)17-5-2-4-16-18-14-34-15-19(18)24(29-23(16)17)28-20-6-3-7-21(22(20)26)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H,27,31)(H,28,29)
InChIKeyJNESCOJCHVUECY-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.40
Rot. Bonds7

About 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide

4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide (PubChem CID 51038807) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide
PubChem CID51038807
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Name4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide
SMILESCNC(=O)c1cccc2c1nc(Nc1cccc(OCCN3CCOCC3)c1F)c1cscc12
InChIInChI=1S/C25H25FN4O3S/c1-27-25(31)17-5-2-4-16-18-14-34-15-19(18)24(29-23(16)17)28-20-6-3-7-21(22(20)26)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H,27,31)(H,28,29)
InChIKeyJNESCOJCHVUECY-UHFFFAOYSA-N
XLogP4.40
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-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 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide?
The IUPAC name of 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide (CID 51038807) is 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide.
What is the SMILES notation for 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide?
The canonical SMILES for 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide is CNC(=O)c1cccc2c1nc(Nc1cccc(OCCN3CCOCC3)c1F)c1cscc12.
What is the InChIKey of 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide?
The InChIKey is JNESCOJCHVUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-27-25(31)17-5-2-4-16-18-14-34-15-19(18)24(29-23(16)17)28-20-6-3-7-21(22(20)26)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide?
4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(2-morpholin-4-ylethoxy)anilino]-N-methylthieno[3,4-c]quinoline-6-carboxamide is sourced from PubChem (CID 51038807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).