1-(3-phenylpropyl)quinazolin-2-one

C17H16N2O — CID 70405856

IUPAC1-(3-phenylpropyl)quinazolin-2-one
SMILESO=c1ncc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C17H16N2O/c20-17-18-13-15-10-4-5-11-16(15)19(17)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13H,6,9,12H2
InChIKeyZCHDVOLCIXUTPJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-phenylpropyl)quinazolin-2-one

1-(3-phenylpropyl)quinazolin-2-one (PubChem CID 70405856) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(3-phenylpropyl)quinazolin-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)quinazolin-2-one
PubChem CID70405856
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(3-phenylpropyl)quinazolin-2-one
SMILESO=c1ncc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C17H16N2O/c20-17-18-13-15-10-4-5-11-16(15)19(17)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13H,6,9,12H2
InChIKeyZCHDVOLCIXUTPJ-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)quinazolin-2-one?
The IUPAC name of 1-(3-phenylpropyl)quinazolin-2-one (CID 70405856) is 1-(3-phenylpropyl)quinazolin-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)quinazolin-2-one?
The canonical SMILES for 1-(3-phenylpropyl)quinazolin-2-one is O=c1ncc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)quinazolin-2-one?
The InChIKey is ZCHDVOLCIXUTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17-18-13-15-10-4-5-11-16(15)19(17)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13H,6,9,12H2.
What are the key properties of 1-(3-phenylpropyl)quinazolin-2-one?
1-(3-phenylpropyl)quinazolin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)quinazolin-2-one is sourced from PubChem (CID 70405856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).