2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C22H21N3O3 — CID 665684

IUPAC2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1
InChIInChI=1S/C22H21N3O3/c1-27-17-7-3-14(4-8-17)15-11-20-19(21(26)12-15)13-23-22(25-20)24-16-5-9-18(28-2)10-6-16/h3-10,13,15H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyYAZDNYWWTMWVFY-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.15
Rot. Bonds5

About 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665684) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665684
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1
InChIInChI=1S/C22H21N3O3/c1-27-17-7-3-14(4-8-17)15-11-20-19(21(26)12-15)13-23-22(25-20)24-16-5-9-18(28-2)10-6-16/h3-10,13,15H,11-12H2,1-2H3,(H,23,24,25)
InChIKeyYAZDNYWWTMWVFY-UHFFFAOYSA-N
XLogP4.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 665684) is 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YAZDNYWWTMWVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-17-7-3-14(4-8-17)15-11-20-19(21(26)12-15)13-23-22(25-20)24-16-5-9-18(28-2)10-6-16/h3-10,13,15H,11-12H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 375.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-7-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).