1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one

C18H18N4O2S — CID 158842196

IUPAC1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
SMILESO=C(Cc1cc2cc(-c3cncs3)ncc2cn1)CN1CCOCC1
InChIInChI=1S/C18H18N4O2S/c23-16(11-22-1-3-24-4-2-22)7-15-5-13-6-17(18-10-19-12-25-18)21-9-14(13)8-20-15/h5-6,8-10,12H,1-4,7,11H2
InChIKeyIYJOPRVSCYLEPB-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.20
Rot. Bonds5

About 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one

1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one (PubChem CID 158842196) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
PubChem CID158842196
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
SMILESO=C(Cc1cc2cc(-c3cncs3)ncc2cn1)CN1CCOCC1
InChIInChI=1S/C18H18N4O2S/c23-16(11-22-1-3-24-4-2-22)7-15-5-13-6-17(18-10-19-12-25-18)21-9-14(13)8-20-15/h5-6,8-10,12H,1-4,7,11H2
InChIKeyIYJOPRVSCYLEPB-UHFFFAOYSA-N
XLogP2.20
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 157466556
1-(3,3-difluorocyclobutyl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 153200393
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
CID 158847291
1-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160895108
2-morpholin-4-yl-N-[7-(1,3-thiazol-5-yl)quinazolin-2-yl]acetamide
CID 138590422
1-cyclopropyl-2-[6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
CID 158014450
1-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-3-morpholin-4-ylpropan-2-one
CID 153111580
1-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylpropan-2-one
CID 158867553
1-(3-morpholin-4-ylcyclobutyl)-2-(6-pyrazin-2-yl-2,7-naphthyridin-3-yl)ethanone
CID 159161643
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
1-[(2R)-oxolan-2-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 161456067

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one (CID 158842196) is 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one is O=C(Cc1cc2cc(-c3cncs3)ncc2cn1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The InChIKey is IYJOPRVSCYLEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-16(11-22-1-3-24-4-2-22)7-15-5-13-6-17(18-10-19-12-25-18)21-9-14(13)8-20-15/h5-6,8-10,12H,1-4,7,11H2.
What are the key properties of 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one has a molecular weight of 354.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 158842196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).