3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one

C24H16N4O2 — CID 11440752

IUPAC3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H16N4O2/c29-23-18-10-4-6-12-20(18)25-16-27(23)28-22(15-14-17-8-2-1-3-9-17)26-21-13-7-5-11-19(21)24(28)30/h1-16H/b15-14+
InChIKeyRGSMPVLATOAQQX-CCEZHUSRSA-N
MW392.42 g/mol
LogP3.59
Rot. Bonds3

About 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one

3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one (PubChem CID 11440752) has the molecular formula C24H16N4O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
PubChem CID11440752
Molecular FormulaC24H16N4O2
Molecular Weight392.42 g/mol
Exact Mass392.13
IUPAC Name3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C24H16N4O2/c29-23-18-10-4-6-12-20(18)25-16-27(23)28-22(15-14-17-8-2-1-3-9-17)26-21-13-7-5-11-19(21)24(28)30/h1-16H/b15-14+
InChIKeyRGSMPVLATOAQQX-CCEZHUSRSA-N
XLogP3.59
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one
CID 6367026
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
CID 58776627
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
1-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]-3-phenylthiourea
CID 21232222
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
ethane;fluoromethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 144698255
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one (CID 11440752) is 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is O=c1c2ccccc2ncn1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
The InChIKey is RGSMPVLATOAQQX-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H16N4O2/c29-23-18-10-4-6-12-20(18)25-16-27(23)28-22(15-14-17-8-2-1-3-9-17)26-21-13-7-5-11-19(21)24(28)30/h1-16H/b15-14+.
What are the key properties of 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one?
3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one has a molecular weight of 392.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is sourced from PubChem (CID 11440752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).