3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one

C19H21N3O2 — CID 110185060

IUPAC3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCNCCc1ccc(O)cc1
InChIInChI=1S/C19H21N3O2/c23-16-8-6-15(7-9-16)10-12-20-11-3-13-22-14-21-18-5-2-1-4-17(18)19(22)24/h1-2,4-9,14,20,23H,3,10-13H2
InChIKeyBJTRYOOSUSEUCM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.32
Rot. Bonds7

About 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one

3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one (PubChem CID 110185060) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
PubChem CID110185060
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCNCCc1ccc(O)cc1
InChIInChI=1S/C19H21N3O2/c23-16-8-6-15(7-9-16)10-12-20-11-3-13-22-14-21-18-5-2-1-4-17(18)19(22)24/h1-2,4-9,14,20,23H,3,10-13H2
InChIKeyBJTRYOOSUSEUCM-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
CID 110186491
3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
CID 4835709
3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
CID 136821785
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one (CID 110185060) is 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCCNCCc1ccc(O)cc1.
What is the InChIKey of 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one?
The InChIKey is BJTRYOOSUSEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-16-8-6-15(7-9-16)10-12-20-11-3-13-22-14-21-18-5-2-1-4-17(18)19(22)24/h1-2,4-9,14,20,23H,3,10-13H2.
What are the key properties of 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one?
3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one is sourced from PubChem (CID 110185060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).