2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one

C28H29N3O3 — CID 67229818

IUPAC2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one
SMILESCCN(CC)CCOc1c(O)cccc1C=Cc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-3-30(4-2)19-20-34-27-21(11-10-16-25(27)32)17-18-26-29-24-15-9-8-14-23(24)28(33)31(26)22-12-6-5-7-13-22/h5-18,32H,3-4,19-20H2,1-2H3
InChIKeyBLBVYPXNYCQKNC-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.98
Rot. Bonds9

About 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one

2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one (PubChem CID 67229818) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one
PubChem CID67229818
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one
SMILESCCN(CC)CCOc1c(O)cccc1C=Cc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-3-30(4-2)19-20-34-27-21(11-10-16-25(27)32)17-18-26-29-24-15-9-8-14-23(24)28(33)31(26)22-12-6-5-7-13-22/h5-18,32H,3-4,19-20H2,1-2H3
InChIKeyBLBVYPXNYCQKNC-UHFFFAOYSA-N
XLogP4.98
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 137106077
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
3-(4-ethynylphenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one
CID 155527552
3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136648633
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one (CID 67229818) is 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one is CCN(CC)CCOc1c(O)cccc1C=Cc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is BLBVYPXNYCQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-3-30(4-2)19-20-34-27-21(11-10-16-25(27)32)17-18-26-29-24-15-9-8-14-23(24)28(33)31(26)22-12-6-5-7-13-22/h5-18,32H,3-4,19-20H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one?
2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 455.56 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(diethylamino)ethoxy]-3-hydroxyphenyl]ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 67229818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).