2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C22H21N3O2 — CID 71210204

IUPAC2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)c1
InChIInChI=1S/C22H21N3O2/c1-13-21-19(25-22(23)24-13)11-15(12-20(21)26)18-9-4-3-8-17(18)14-6-5-7-16(10-14)27-2/h3-10,15H,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyJTFYFICDXZWDAX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.96
Rot. Bonds3

About 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210204) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210204
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)c1
InChIInChI=1S/C22H21N3O2/c1-13-21-19(25-22(23)24-13)11-15(12-20(21)26)18-9-4-3-8-17(18)14-6-5-7-16(10-14)27-2/h3-10,15H,11-12H2,1-2H3,(H2,23,24,25)
InChIKeyJTFYFICDXZWDAX-UHFFFAOYSA-N
XLogP3.96
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 71210204) is 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(-c2ccccc2C2CC(=O)c3c(C)nc(N)nc3C2)c1.
What is the InChIKey of 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JTFYFICDXZWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-21-19(25-22(23)24-13)11-15(12-20(21)26)18-9-4-3-8-17(18)14-6-5-7-16(10-14)27-2/h3-10,15H,11-12H2,1-2H3,(H2,23,24,25).
What are the key properties of 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 359.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).