3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

C19H15N3O2S — CID 17483318

IUPAC3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccccc1-c1nc(Cn2cnc3ccccc3c2=O)cs1
InChIInChI=1S/C19H15N3O2S/c1-24-17-9-5-3-7-15(17)18-21-13(11-25-18)10-22-12-20-16-8-4-2-6-14(16)19(22)23/h2-9,11-12H,10H2,1H3
InChIKeyOMMJXRHOFYVLPB-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.58
Rot. Bonds4

About 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 17483318) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID17483318
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCOc1ccccc1-c1nc(Cn2cnc3ccccc3c2=O)cs1
InChIInChI=1S/C19H15N3O2S/c1-24-17-9-5-3-7-15(17)18-21-13(11-25-18)10-22-12-20-16-8-4-2-6-14(16)19(22)23/h2-9,11-12H,10H2,1H3
InChIKeyOMMJXRHOFYVLPB-UHFFFAOYSA-N
XLogP3.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 17483318) is 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is COc1ccccc1-c1nc(Cn2cnc3ccccc3c2=O)cs1.
What is the InChIKey of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is OMMJXRHOFYVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-17-9-5-3-7-15(17)18-21-13(11-25-18)10-22-12-20-16-8-4-2-6-14(16)19(22)23/h2-9,11-12H,10H2,1H3.
What are the key properties of 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 349.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 17483318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).