N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C18H19N5O5S — CID 55598485

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cccnc3N3CCOCC3)ccc2[nH]1
InChIInChI=1S/C18H19N5O5S/c24-17-14-10-13(3-4-15(14)21-18(25)22-17)29(26,27)20-11-12-2-1-5-19-16(12)23-6-8-28-9-7-23/h1-5,10,20H,6-9,11H2,(H2,21,22,24,25)
InChIKeyVYZDCOUBRANVFN-UHFFFAOYSA-N
MW417.45 g/mol
LogP-0.07
Rot. Bonds5

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 55598485) has the molecular formula C18H19N5O5S and a molecular weight of 417.45 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID55598485
Molecular FormulaC18H19N5O5S
Molecular Weight417.45 g/mol
Exact Mass417.11
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cccnc3N3CCOCC3)ccc2[nH]1
InChIInChI=1S/C18H19N5O5S/c24-17-14-10-13(3-4-15(14)21-18(25)22-17)29(26,27)20-11-12-2-1-5-19-16(12)23-6-8-28-9-7-23/h1-5,10,20H,6-9,11H2,(H2,21,22,24,25)
InChIKeyVYZDCOUBRANVFN-UHFFFAOYSA-N
XLogP-0.07
TPSA137.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 55598485) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cccnc3N3CCOCC3)ccc2[nH]1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is VYZDCOUBRANVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S/c24-17-14-10-13(3-4-15(14)21-18(25)22-17)29(26,27)20-11-12-2-1-5-19-16(12)23-6-8-28-9-7-23/h1-5,10,20H,6-9,11H2,(H2,21,22,24,25).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 417.45 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 55598485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).