N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

C25H26FN5O3S — CID 10483084

IUPACN-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C25H26FN5O3S/c1-34-16-2-3-20-18(12-16)17(19(26)13-27-20)8-11-31-9-6-15(7-10-31)28-25(33)21-4-5-22-24(29-21)30-23(32)14-35-22/h2-5,12-13,15H,6-11,14H2,1H3,(H,28,33)(H,29,30,32)
InChIKeyGYAGZBFGKNECAG-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.26
Rot. Bonds6

About N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 10483084) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
PubChem CID10483084
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC NameN-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C25H26FN5O3S/c1-34-16-2-3-20-18(12-16)17(19(26)13-27-20)8-11-31-9-6-15(7-10-31)28-25(33)21-4-5-22-24(29-21)30-23(32)14-35-22/h2-5,12-13,15H,6-11,14H2,1H3,(H,28,33)(H,29,30,32)
InChIKeyGYAGZBFGKNECAG-UHFFFAOYSA-N
XLogP3.26
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-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 N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The IUPAC name of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 10483084) is N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The canonical SMILES for N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is COc1ccc2ncc(F)c(CCN3CCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CC3)c2c1.
What is the InChIKey of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The InChIKey is GYAGZBFGKNECAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-34-16-2-3-20-18(12-16)17(19(26)13-27-20)8-11-31-9-6-15(7-10-31)28-25(33)21-4-5-22-24(29-21)30-23(32)14-35-22/h2-5,12-13,15H,6-11,14H2,1H3,(H,28,33)(H,29,30,32).
What are the key properties of N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 10483084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).