8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

C22H18N4O2S — CID 46908417

IUPAC8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESCN1CCOc2cc(-c3cccc4ccc(C(=O)Nc5nccs5)nc34)ccc21
InChIInChI=1S/C22H18N4O2S/c1-26-10-11-28-19-13-15(6-8-18(19)26)16-4-2-3-14-5-7-17(24-20(14)16)21(27)25-22-23-9-12-29-22/h2-9,12-13H,10-11H2,1H3,(H,23,25,27)
InChIKeyOIAVSHPNOKBZIE-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.44
Rot. Bonds3

About 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide

8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (PubChem CID 46908417) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
PubChem CID46908417
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
SMILESCN1CCOc2cc(-c3cccc4ccc(C(=O)Nc5nccs5)nc34)ccc21
InChIInChI=1S/C22H18N4O2S/c1-26-10-11-28-19-13-15(6-8-18(19)26)16-4-2-3-14-5-7-17(24-20(14)16)21(27)25-22-23-9-12-29-22/h2-9,12-13H,10-11H2,1H3,(H,23,25,27)
InChIKeyOIAVSHPNOKBZIE-UHFFFAOYSA-N
XLogP4.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The IUPAC name of 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide (CID 46908417) is 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is CN1CCOc2cc(-c3cccc4ccc(C(=O)Nc5nccs5)nc34)ccc21.
What is the InChIKey of 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
The InChIKey is OIAVSHPNOKBZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-26-10-11-28-19-13-15(6-8-18(19)26)16-4-2-3-14-5-7-17(24-20(14)16)21(27)25-22-23-9-12-29-22/h2-9,12-13H,10-11H2,1H3,(H,23,25,27).
What are the key properties of 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide?
8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 46908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).