3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one

C20H14N2O2 — CID 680336

IUPAC3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O2/c23-19(16-10-9-14-5-1-2-6-15(14)11-16)12-22-13-21-18-8-4-3-7-17(18)20(22)24/h1-11,13H,12H2
InChIKeyQNXMUPNMRBWDAH-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.43
Rot. Bonds3

About 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one

3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one (PubChem CID 680336) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
PubChem CID680336
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O2/c23-19(16-10-9-14-5-1-2-6-15(14)11-16)12-22-13-21-18-8-4-3-7-17(18)20(22)24/h1-11,13H,12H2
InChIKeyQNXMUPNMRBWDAH-UHFFFAOYSA-N
XLogP3.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
The IUPAC name of 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one (CID 680336) is 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
The InChIKey is QNXMUPNMRBWDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19(16-10-9-14-5-1-2-6-15(14)11-16)12-22-13-21-18-8-4-3-7-17(18)20(22)24/h1-11,13H,12H2.
What are the key properties of 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one?
3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one is sourced from PubChem (CID 680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).