2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one

C20H14N2O — CID 135405777

IUPAC2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H14N2O/c23-20-17-10-3-4-11-18(17)21-19(22-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12+
InChIKeyLSBSXEMERYPADA-OUKQBFOZSA-N
MW298.35 g/mol
LogP4.25
Rot. Bonds2

About 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one

2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one (PubChem CID 135405777) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one
PubChem CID135405777
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H14N2O/c23-20-17-10-3-4-11-18(17)21-19(22-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12+
InChIKeyLSBSXEMERYPADA-OUKQBFOZSA-N
XLogP4.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one (CID 135405777) is 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one?
The InChIKey is LSBSXEMERYPADA-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20-17-10-3-4-11-18(17)21-19(22-20)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,21,22,23)/b13-12+.
What are the key properties of 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one?
2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one has a molecular weight of 298.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-naphthalen-1-ylethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135405777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).