2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one

C23H18N6O2 — CID 90011394

IUPAC2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one
SMILESCCOc1ccccc1-c1nc2ccccc2c(=O)n1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C23H18N6O2/c1-2-31-20-10-6-4-8-18(20)22-24-19-9-5-3-7-17(19)23(30)29(22)16-13-11-15(12-14-16)21-25-27-28-26-21/h3-14H,2H2,1H3,(H,25,26,27,28)
InChIKeyBEKURLQQHGYDEB-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.63
Rot. Bonds5

About 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one

2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one (PubChem CID 90011394) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one
PubChem CID90011394
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one
SMILESCCOc1ccccc1-c1nc2ccccc2c(=O)n1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C23H18N6O2/c1-2-31-20-10-6-4-8-18(20)22-24-19-9-5-3-7-17(19)23(30)29(22)16-13-11-15(12-14-16)21-25-27-28-26-21/h3-14H,2H2,1H3,(H,25,26,27,28)
InChIKeyBEKURLQQHGYDEB-UHFFFAOYSA-N
XLogP3.63
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
3-(4-methylphenyl)-2-[2-(2-phenoxyacetyl)phenyl]quinazolin-4-one
CID 4039036
3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one
CID 46840315
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one
CID 71318579
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
methyl 3-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylate
CID 67579147
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one (CID 90011394) is 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one is CCOc1ccccc1-c1nc2ccccc2c(=O)n1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one?
The InChIKey is BEKURLQQHGYDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-2-31-20-10-6-4-8-18(20)22-24-19-9-5-3-7-17(19)23(30)29(22)16-13-11-15(12-14-16)21-25-27-28-26-21/h3-14H,2H2,1H3,(H,25,26,27,28).
What are the key properties of 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one?
2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one has a molecular weight of 410.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one is sourced from PubChem (CID 90011394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).