N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide

C19H16N4O5S — CID 137036887

IUPACN-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide
SMILESCOc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(=O)[nH]cnc3c2)cc1
InChIInChI=1S/C19H16N4O5S/c1-27-14-4-2-13(3-5-14)11-23(18-8-9-28-22-18)29(25,26)15-6-7-16-17(10-15)20-12-21-19(16)24/h2-10,12H,11H2,1H3,(H,20,21,24)
InChIKeyUUCISTNQDNSMCZ-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.32
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide

N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide (PubChem CID 137036887) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide
PubChem CID137036887
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide
SMILESCOc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(=O)[nH]cnc3c2)cc1
InChIInChI=1S/C19H16N4O5S/c1-27-14-4-2-13(3-5-14)11-23(18-8-9-28-22-18)29(25,26)15-6-7-16-17(10-15)20-12-21-19(16)24/h2-10,12H,11H2,1H3,(H,20,21,24)
InChIKeyUUCISTNQDNSMCZ-UHFFFAOYSA-N
XLogP2.32
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide (CID 137036887) is N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide is COc1ccc(CN(c2ccon2)S(=O)(=O)c2ccc3c(=O)[nH]cnc3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide?
The InChIKey is UUCISTNQDNSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-27-14-4-2-13(3-5-14)11-23(18-8-9-28-22-18)29(25,26)15-6-7-16-17(10-15)20-12-21-19(16)24/h2-10,12H,11H2,1H3,(H,20,21,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide has a molecular weight of 412.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-4-oxo-3H-quinazoline-7-sulfonamide is sourced from PubChem (CID 137036887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).