6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one

C21H16N2O3S — CID 136608268

IUPAC6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one
SMILESCc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)s1
InChIInChI=1S/C21H16N2O3S/c1-13-7-8-18(27-13)20(24)15-9-16-19(22-12-23-21(16)25)17(10-15)26-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25)
InChIKeyNLJVGHVVILQSBM-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.10
Rot. Bonds5

About 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one

6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one (PubChem CID 136608268) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one
PubChem CID136608268
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one
SMILESCc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)s1
InChIInChI=1S/C21H16N2O3S/c1-13-7-8-18(27-13)20(24)15-9-16-19(22-12-23-21(16)25)17(10-15)26-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25)
InChIKeyNLJVGHVVILQSBM-UHFFFAOYSA-N
XLogP4.10
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one?
The IUPAC name of 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one (CID 136608268) is 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one is Cc1ccc(C(=O)c2cc(OCc3ccccc3)c3nc[nH]c(=O)c3c2)s1.
What is the InChIKey of 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one?
The InChIKey is NLJVGHVVILQSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-13-7-8-18(27-13)20(24)15-9-16-19(22-12-23-21(16)25)17(10-15)26-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,23,25).
What are the key properties of 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one?
6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one has a molecular weight of 376.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophene-2-carbonyl)-8-phenylmethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136608268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).