2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

C16H17N3O3 — CID 2886736

IUPAC2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1OC
InChIInChI=1S/C16H17N3O3/c1-21-14-4-3-9(7-15(14)22-2)10-5-12-11(13(20)6-10)8-18-16(17)19-12/h3-4,7-8,10H,5-6H2,1-2H3,(H2,17,18,19)
InChIKeyGUJOSGLEORDKLF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2886736) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2886736
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1OC
InChIInChI=1S/C16H17N3O3/c1-21-14-4-3-9(7-15(14)22-2)10-5-12-11(13(20)6-10)8-18-16(17)19-12/h3-4,7-8,10H,5-6H2,1-2H3,(H2,17,18,19)
InChIKeyGUJOSGLEORDKLF-UHFFFAOYSA-N
XLogP1.99
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 2886736) is 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1OC.
What is the InChIKey of 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GUJOSGLEORDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-14-4-3-9(7-15(14)22-2)10-5-12-11(13(20)6-10)8-18-16(17)19-12/h3-4,7-8,10H,5-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 299.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2886736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).