3-naphthalen-1-yl-1H-quinazoline-2,4-dione

C18H12N2O2 — CID 11266204

IUPAC3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17-14-9-3-4-10-15(14)19-18(22)20(17)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,22)
InChIKeyQKGAICHOKICUTQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.83
Rot. Bonds1

About 3-naphthalen-1-yl-1H-quinazoline-2,4-dione

3-naphthalen-1-yl-1H-quinazoline-2,4-dione (PubChem CID 11266204) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-naphthalen-1-yl-1H-quinazoline-2,4-dione
PubChem CID11266204
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-naphthalen-1-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1cccc2ccccc12
InChIInChI=1S/C18H12N2O2/c21-17-14-9-3-4-10-15(14)19-18(22)20(17)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,22)
InChIKeyQKGAICHOKICUTQ-UHFFFAOYSA-N
XLogP2.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-naphthalen-1-yl-1H-quinazoline-2,4-dione (CID 11266204) is 3-naphthalen-1-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-naphthalen-1-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
The InChIKey is QKGAICHOKICUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-14-9-3-4-10-15(14)19-18(22)20(17)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,22).
What are the key properties of 3-naphthalen-1-yl-1H-quinazoline-2,4-dione?
3-naphthalen-1-yl-1H-quinazoline-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 11266204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).