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

C20H14N2O — CID 135471735

IUPAC2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C=Cc2cccc3ccccc23)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)
InChIKeyLSBSXEMERYPADA-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.25
Rot. Bonds2

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

2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one (PubChem CID 135471735) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
PubChem CID135471735
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C=Cc2cccc3ccccc23)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)
InChIKeyLSBSXEMERYPADA-UHFFFAOYSA-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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Related Compounds

2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135514039
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613
2-[2-(4-ethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135517947
5,6-dimethyl-2-[(E)-2-naphthalen-1-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 8853237
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 136721364
2-[(E)-2-(5-bromo-2-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681127
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
methyl (E)-3-(4-oxo-3H-quinazolin-2-yl)prop-2-enoate
CID 136732083
3-[N-methyl-4-[(E)-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]anilino]propanenitrile
CID 135830252
5-[(E)-2-naphthalen-1-ylethenyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 22830092

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one (CID 135471735) is 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one is O=c1[nH]c(C=Cc2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one?
The InChIKey is LSBSXEMERYPADA-UHFFFAOYSA-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).
What are the key properties of 2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one?
2-(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-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135471735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).