3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one

C17H17N3O2 — CID 824898

IUPAC3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1cccc(CCc2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C17H17N3O2/c1-22-13-6-4-5-12(11-13)9-10-16-19-15-8-3-2-7-14(15)17(21)20(16)18/h2-8,11H,9-10,18H2,1H3
InChIKeyLAVUUHJRQXJDSV-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.90
Rot. Bonds4

About 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one

3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one (PubChem CID 824898) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one
PubChem CID824898
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1cccc(CCc2nc3ccccc3c(=O)n2N)c1
InChIInChI=1S/C17H17N3O2/c1-22-13-6-4-5-12(11-13)9-10-16-19-15-8-3-2-7-14(15)17(21)20(16)18/h2-8,11H,9-10,18H2,1H3
InChIKeyLAVUUHJRQXJDSV-UHFFFAOYSA-N
XLogP1.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one (CID 824898) is 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one is COc1cccc(CCc2nc3ccccc3c(=O)n2N)c1.
What is the InChIKey of 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
The InChIKey is LAVUUHJRQXJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-6-4-5-12(11-13)9-10-16-19-15-8-3-2-7-14(15)17(21)20(16)18/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one?
3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one has a molecular weight of 295.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(3-methoxyphenyl)ethyl]quinazolin-4-one is sourced from PubChem (CID 824898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).