(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one

C17H16N2O2 — CID 2412090

IUPAC(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccccc1/C=C/[C@H]1NC(=O)c2ccccc2N1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-5-2-6-12(15)10-11-16-18-14-8-4-3-7-13(14)17(20)19-16/h2-11,16,18H,1H3,(H,19,20)/b11-10+/t16-/m1/s1
InChIKeyNBJKTXWBUOAZNE-SIFUEBAJSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds3

About (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 2412090) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID2412090
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccccc1/C=C/[C@H]1NC(=O)c2ccccc2N1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-5-2-6-12(15)10-11-16-18-14-8-4-3-7-13(14)17(20)19-16/h2-11,16,18H,1H3,(H,19,20)/b11-10+/t16-/m1/s1
InChIKeyNBJKTXWBUOAZNE-SIFUEBAJSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2R)-butan-2-yl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2-dihydroquinazolin-4-one
CID 9007975
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
CID 24806595
2,7-bis[3-(2-methoxyphenyl)prop-2-enylidene]cycloheptan-1-one
CID 4711480
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
4-methoxy-3-propan-2-yl-2,3-dihydroisoindol-1-one
CID 84734053
1-methoxy-2-(2-methylsulfonylethenyl)benzene
CID 71427432
(2R)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
CID 71745270
(2S)-3,3-difluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-pyran-6-one
CID 71745464
2-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]butyl]isoindole-1,3-dione
CID 119128909
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one (CID 2412090) is (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one is COc1ccccc1/C=C/[C@H]1NC(=O)c2ccccc2N1.
What is the InChIKey of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is NBJKTXWBUOAZNE-SIFUEBAJSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-9-5-2-6-12(15)10-11-16-18-14-8-4-3-7-13(14)17(20)19-16/h2-11,16,18H,1H3,(H,19,20)/b11-10+/t16-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 2412090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).