2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C23H21FN4O4S — CID 44594136

IUPAC2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(C)c3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1F
InChIInChI=1S/C23H21FN4O4S/c1-12(14-6-5-7-17-19(14)21(30)28(3)23(31)27(17)2)20(29)26-22-25-16(11-33-22)13-8-9-18(32-4)15(24)10-13/h5-12H,1-4H3,(H,25,26,29)
InChIKeyCHEAUZARXQNJBH-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.25
Rot. Bonds5

About 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 44594136) has the molecular formula C23H21FN4O4S and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID44594136
Molecular FormulaC23H21FN4O4S
Molecular Weight468.51 g/mol
Exact Mass468.13
IUPAC Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(C)c3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1F
InChIInChI=1S/C23H21FN4O4S/c1-12(14-6-5-7-17-19(14)21(30)28(3)23(31)27(17)2)20(29)26-22-25-16(11-33-22)13-8-9-18(32-4)15(24)10-13/h5-12H,1-4H3,(H,25,26,29)
InChIKeyCHEAUZARXQNJBH-UHFFFAOYSA-N
XLogP3.25
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 44594136) is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2csc(NC(=O)C(C)c3cccc4c3c(=O)n(C)c(=O)n4C)n2)cc1F.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is CHEAUZARXQNJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4S/c1-12(14-6-5-7-17-19(14)21(30)28(3)23(31)27(17)2)20(29)26-22-25-16(11-33-22)13-8-9-18(32-4)15(24)10-13/h5-12H,1-4H3,(H,25,26,29).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 468.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 44594136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).