3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one

C17H19N3O4S — CID 171913094

IUPAC3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(Cc3sc(C)nc3C)cnc2c(OC)c1OC
InChIInChI=1S/C17H19N3O4S/c1-9-13(25-10(2)19-9)7-20-8-18-14-11(17(20)21)6-12(22-3)15(23-4)16(14)24-5/h6,8H,7H2,1-5H3
InChIKeyKRCZHCFVFCONEZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.54
Rot. Bonds5

About 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171913094) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171913094
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(Cc3sc(C)nc3C)cnc2c(OC)c1OC
InChIInChI=1S/C17H19N3O4S/c1-9-13(25-10(2)19-9)7-20-8-18-14-11(17(20)21)6-12(22-3)15(23-4)16(14)24-5/h6,8H,7H2,1-5H3
InChIKeyKRCZHCFVFCONEZ-UHFFFAOYSA-N
XLogP2.54
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171914740
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one (CID 171913094) is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(Cc3sc(C)nc3C)cnc2c(OC)c1OC.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is KRCZHCFVFCONEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-9-13(25-10(2)19-9)7-20-8-18-14-11(17(20)21)6-12(22-3)15(23-4)16(14)24-5/h6,8H,7H2,1-5H3.
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one?
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 361.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171913094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).