6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid

C24H27N5O3S — CID 68890003

IUPAC6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
SMILESO=C(O)Nc1ccnc2ccccc12.O=C1CSc2ccc(CNC3CCCCC3)nc2N1
InChIInChI=1S/C14H19N3OS.C10H8N2O2/c18-13-9-19-12-7-6-11(16-14(12)17-13)8-15-10-4-2-1-3-5-10;13-10(14)12-9-5-6-11-8-4-2-1-3-7(8)9/h6-7,10,15H,1-5,8-9H2,(H,16,17,18);1-6H,(H,11,12)(H,13,14)
InChIKeyJYYFQBOWGSFPJR-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.87
Rot. Bonds4

About 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid

6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid (PubChem CID 68890003) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid.

Molecular Properties

Compound Name6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
PubChem CID68890003
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
SMILESO=C(O)Nc1ccnc2ccccc12.O=C1CSc2ccc(CNC3CCCCC3)nc2N1
InChIInChI=1S/C14H19N3OS.C10H8N2O2/c18-13-9-19-12-7-6-11(16-14(12)17-13)8-15-10-4-2-1-3-5-10;13-10(14)12-9-5-6-11-8-4-2-1-3-7(8)9/h6-7,10,15H,1-5,8-9H2,(H,16,17,18);1-6H,(H,11,12)(H,13,14)
InChIKeyJYYFQBOWGSFPJR-UHFFFAOYSA-N
XLogP4.87
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid?
The IUPAC name of 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid (CID 68890003) is 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid.
What is the SMILES notation for 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid?
The canonical SMILES for 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid is O=C(O)Nc1ccnc2ccccc12.O=C1CSc2ccc(CNC3CCCCC3)nc2N1.
What is the InChIKey of 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid?
The InChIKey is JYYFQBOWGSFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.C10H8N2O2/c18-13-9-19-12-7-6-11(16-14(12)17-13)8-15-10-4-2-1-3-5-10;13-10(14)12-9-5-6-11-8-4-2-1-3-7(8)9/h6-7,10,15H,1-5,8-9H2,(H,16,17,18);1-6H,(H,11,12)(H,13,14).
What are the key properties of 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid?
6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid has a molecular weight of 465.58 g/mol, XLogP of 4.87, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid is sourced from PubChem (CID 68890003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).