2-(2-phenylethenyl)-3-propoxyquinazolin-4-one

C19H18N2O2 — CID 58776627

IUPAC2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
SMILESCCCOn1c(C=Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O2/c1-2-14-23-21-18(13-12-15-8-4-3-5-9-15)20-17-11-7-6-10-16(17)19(21)22/h3-13H,2,14H2,1H3
InChIKeyOHUZINCJJFNGJR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.41
Rot. Bonds5

About 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one

2-(2-phenylethenyl)-3-propoxyquinazolin-4-one (PubChem CID 58776627) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one.

Molecular Properties

Compound Name2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
PubChem CID58776627
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
SMILESCCCOn1c(C=Cc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H18N2O2/c1-2-14-23-21-18(13-12-15-8-4-3-5-9-15)20-17-11-7-6-10-16(17)19(21)22/h3-13H,2,14H2,1H3
InChIKeyOHUZINCJJFNGJR-UHFFFAOYSA-N
XLogP3.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
3-butoxy-2-chloroquinazolin-4-one
CID 70145328
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
CID 118735048
3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 11440752
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
CID 5377736
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one?
The IUPAC name of 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one (CID 58776627) is 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one.
What is the SMILES notation for 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one?
The canonical SMILES for 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one is CCCOn1c(C=Cc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one?
The InChIKey is OHUZINCJJFNGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-14-23-21-18(13-12-15-8-4-3-5-9-15)20-17-11-7-6-10-16(17)19(21)22/h3-13H,2,14H2,1H3.
What are the key properties of 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one?
2-(2-phenylethenyl)-3-propoxyquinazolin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-3-propoxyquinazolin-4-one is sourced from PubChem (CID 58776627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).