2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide

C19H14N4O5S — CID 46966788

IUPAC2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2[nH]1
InChIInChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
InChIKeyCNILPKOOBRBNEQ-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.20
Rot. Bonds5

About 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide

2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide (PubChem CID 46966788) has the molecular formula C19H14N4O5S and a molecular weight of 410.41 g/mol. Its IUPAC name is 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide
PubChem CID46966788
Molecular FormulaC19H14N4O5S
Molecular Weight410.41 g/mol
Exact Mass410.07
IUPAC Name2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2[nH]1
InChIInChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25)
InChIKeyCNILPKOOBRBNEQ-UHFFFAOYSA-N
XLogP2.20
TPSA134.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide?
The IUPAC name of 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide (CID 46966788) is 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2[nH]1.
What is the InChIKey of 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide?
The InChIKey is CNILPKOOBRBNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5S/c24-18-16-10-15(7-8-17(16)21-19(25)22-18)29(26,27)23-12-3-5-13(6-4-12)28-14-2-1-9-20-11-14/h1-11,23H,(H2,21,22,24,25).
What are the key properties of 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide?
2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide has a molecular weight of 410.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(4-pyridin-3-yloxyphenyl)-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 46966788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).