N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

C24H24N4O5S — CID 162666893

IUPACN-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2nccc(CCC3OCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CO3)c2c1
InChIInChI=1S/C24H24N4O5S/c1-31-16-3-4-18-17(10-16)14(8-9-25-18)2-7-22-32-11-15(12-33-22)26-24(30)19-5-6-20-23(27-19)28-21(29)13-34-20/h3-6,8-10,15,22H,2,7,11-13H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyIDBNSMFFTLKKMN-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 162666893) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
PubChem CID162666893
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC NameN-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
SMILESCOc1ccc2nccc(CCC3OCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CO3)c2c1
InChIInChI=1S/C24H24N4O5S/c1-31-16-3-4-18-17(10-16)14(8-9-25-18)2-7-22-32-11-15(12-33-22)26-24(30)19-5-6-20-23(27-19)28-21(29)13-34-20/h3-6,8-10,15,22H,2,7,11-13H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyIDBNSMFFTLKKMN-UHFFFAOYSA-N
XLogP2.79
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The IUPAC name of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 162666893) is N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.
What is the SMILES notation for N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The canonical SMILES for N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is COc1ccc2nccc(CCC3OCC(NC(=O)c4ccc5c(n4)NC(=O)CS5)CO3)c2c1.
What is the InChIKey of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
The InChIKey is IDBNSMFFTLKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-31-16-3-4-18-17(10-16)14(8-9-25-18)2-7-22-32-11-15(12-33-22)26-24(30)19-5-6-20-23(27-19)28-21(29)13-34-20/h3-6,8-10,15,22H,2,7,11-13H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 162666893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).