2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide

C23H15N5O3S — CID 24649182

IUPAC2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H15N5O3S/c29-19(25-22-27-26-20(32-22)14-7-3-1-4-8-14)15-11-12-17-18(13-15)24-23(31)28(21(17)30)16-9-5-2-6-10-16/h1-13H,(H,24,31)(H,25,27,29)
InChIKeySKFOZQPRRPPJBF-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.45
Rot. Bonds4

About 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide

2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide (PubChem CID 24649182) has the molecular formula C23H15N5O3S and a molecular weight of 441.47 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
PubChem CID24649182
Molecular FormulaC23H15N5O3S
Molecular Weight441.47 g/mol
Exact Mass441.09
IUPAC Name2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H15N5O3S/c29-19(25-22-27-26-20(32-22)14-7-3-1-4-8-14)15-11-12-17-18(13-15)24-23(31)28(21(17)30)16-9-5-2-6-10-16/h1-13H,(H,24,31)(H,25,27,29)
InChIKeySKFOZQPRRPPJBF-UHFFFAOYSA-N
XLogP3.45
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide (CID 24649182) is 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?
The InChIKey is SKFOZQPRRPPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O3S/c29-19(25-22-27-26-20(32-22)14-7-3-1-4-8-14)15-11-12-17-18(13-15)24-23(31)28(21(17)30)16-9-5-2-6-10-16/h1-13H,(H,24,31)(H,25,27,29).
What are the key properties of 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide?
2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24649182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).