3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one

C23H16Cl2N2O3 — CID 135436867

IUPAC3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)ccc1O
InChIInChI=1S/C23H16Cl2N2O3/c1-30-20-13-14(9-11-19(20)28)10-12-21-26-18-8-3-2-5-15(18)23(29)27(21)22-16(24)6-4-7-17(22)25/h2-13,28H,1H3/b12-10+
InChIKeyHZIYMHHYNUGNGN-ZRDIBKRKSA-N
MW439.30 g/mol
LogP5.58
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one

3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 135436867) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID135436867
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC Name3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)ccc1O
InChIInChI=1S/C23H16Cl2N2O3/c1-30-20-13-14(9-11-19(20)28)10-12-21-26-18-8-3-2-5-15(18)23(29)27(21)22-16(24)6-4-7-17(22)25/h2-13,28H,1H3/b12-10+
InChIKeyHZIYMHHYNUGNGN-ZRDIBKRKSA-N
XLogP5.58
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one with MolForge

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Related Compounds

2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 3749691
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
3-(2-chlorophenyl)-2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-iodoquinazolin-4-one
CID 3737871
3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
CID 3837276
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 20966836
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one
CID 31472984
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one (CID 135436867) is 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one is COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)ccc1O.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is HZIYMHHYNUGNGN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c1-30-20-13-14(9-11-19(20)28)10-12-21-26-18-8-3-2-5-15(18)23(29)27(21)22-16(24)6-4-7-17(22)25/h2-13,28H,1H3/b12-10+.
What are the key properties of 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one?
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 439.30 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 135436867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).