2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one

C20H18N4O3S — CID 21049650

IUPAC2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(OCCn3cnc4ccccc4c3=O)cc2)S1
InChIInChI=1S/C20H18N4O3S/c21-20-23-18(25)17(28-20)11-13-5-7-14(8-6-13)27-10-9-24-12-22-16-4-2-1-3-15(16)19(24)26/h1-8,12,17H,9-11H2,(H2,21,23,25)
InChIKeyXBVBJLPASZBJFK-UHFFFAOYSA-N
MW394.46 g/mol
LogP1.97
Rot. Bonds6

About 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one

2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one (PubChem CID 21049650) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
PubChem CID21049650
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(OCCn3cnc4ccccc4c3=O)cc2)S1
InChIInChI=1S/C20H18N4O3S/c21-20-23-18(25)17(28-20)11-13-5-7-14(8-6-13)27-10-9-24-12-22-16-4-2-1-3-15(16)19(24)26/h1-8,12,17H,9-11H2,(H2,21,23,25)
InChIKeyXBVBJLPASZBJFK-UHFFFAOYSA-N
XLogP1.97
TPSA99.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
oxalic acid;3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one
CID 2924209
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[2-(2,6-dibromo-4-methylphenoxy)ethyl]quinazolin-4-one
CID 16614122
methyl 4-[2-[2-(4-oxoquinazolin-3-yl)ethoxy]ethoxy]benzoate
CID 2216531
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269
3-propylquinazolin-4-one
CID 529124
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one (CID 21049650) is 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2ccc(OCCn3cnc4ccccc4c3=O)cc2)S1.
What is the InChIKey of 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one?
The InChIKey is XBVBJLPASZBJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c21-20-23-18(25)17(28-20)11-13-5-7-14(8-6-13)27-10-9-24-12-22-16-4-2-1-3-15(16)19(24)26/h1-8,12,17H,9-11H2,(H2,21,23,25).
What are the key properties of 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one?
2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one has a molecular weight of 394.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 21049650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).