2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide

C25H21N3O3 — CID 101020928

IUPAC2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide
SMILESCC(C(N)=O)n1c(/C=C/c2cccc(Oc3ccccc3)c2)nc2ccccc2c1=O
InChIInChI=1S/C25H21N3O3/c1-17(24(26)29)28-23(27-22-13-6-5-12-21(22)25(28)30)15-14-18-8-7-11-20(16-18)31-19-9-3-2-4-10-19/h2-17H,1H3,(H2,26,29)/b15-14+
InChIKeyVDBDMGGBQWDLNK-CCEZHUSRSA-N
MW411.46 g/mol
LogP4.41
Rot. Bonds6

About 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide

2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide (PubChem CID 101020928) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide.

Molecular Properties

Compound Name2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide
PubChem CID101020928
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide
SMILESCC(C(N)=O)n1c(/C=C/c2cccc(Oc3ccccc3)c2)nc2ccccc2c1=O
InChIInChI=1S/C25H21N3O3/c1-17(24(26)29)28-23(27-22-13-6-5-12-21(22)25(28)30)15-14-18-8-7-11-20(16-18)31-19-9-3-2-4-10-19/h2-17H,1H3,(H2,26,29)/b15-14+
InChIKeyVDBDMGGBQWDLNK-CCEZHUSRSA-N
XLogP4.41
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide
CID 101020923
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide?
The IUPAC name of 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide (CID 101020928) is 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide.
What is the SMILES notation for 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide?
The canonical SMILES for 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide is CC(C(N)=O)n1c(/C=C/c2cccc(Oc3ccccc3)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide?
The InChIKey is VDBDMGGBQWDLNK-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17(24(26)29)28-23(27-22-13-6-5-12-21(22)25(28)30)15-14-18-8-7-11-20(16-18)31-19-9-3-2-4-10-19/h2-17H,1H3,(H2,26,29)/b15-14+.
What are the key properties of 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide?
2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide has a molecular weight of 411.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide is sourced from PubChem (CID 101020928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).