2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C20H20N4O2 — CID 71210202

IUPAC2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1c(C)noc1C)C2
InChIInChI=1S/C20H20N4O2/c1-10-19-16(23-20(21)22-10)8-13(9-17(19)25)14-6-4-5-7-15(14)18-11(2)24-26-12(18)3/h4-7,13H,8-9H2,1-3H3,(H2,21,22,23)
InChIKeyACZCJOYHVKDJMA-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.55
Rot. Bonds2

About 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210202) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210202
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1c(C)noc1C)C2
InChIInChI=1S/C20H20N4O2/c1-10-19-16(23-20(21)22-10)8-13(9-17(19)25)14-6-4-5-7-15(14)18-11(2)24-26-12(18)3/h4-7,13H,8-9H2,1-3H3,(H2,21,22,23)
InChIKeyACZCJOYHVKDJMA-UHFFFAOYSA-N
XLogP3.55
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 71210202) is 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1c(C)noc1C)C2.
What is the InChIKey of 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ACZCJOYHVKDJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-10-19-16(23-20(21)22-10)8-13(9-17(19)25)14-6-4-5-7-15(14)18-11(2)24-26-12(18)3/h4-7,13H,8-9H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 348.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).