4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one

C24H19Cl2FN2O2 — CID 135148781

IUPAC4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCOc1cccc(F)c1-c1cc2c(cc1Cl)c(Cl)nc(=O)n2-c1ccccc1C(C)C
InChIInChI=1S/C24H19Cl2FN2O2/c1-13(2)14-7-4-5-9-19(14)29-20-12-15(22-18(27)8-6-10-21(22)31-3)17(25)11-16(20)23(26)28-24(29)30/h4-13H,1-3H3
InChIKeyINQUMWUPQPILHZ-UHFFFAOYSA-N
MW457.33 g/mol
LogP6.63
Rot. Bonds4

About 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one

4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 135148781) has the molecular formula C24H19Cl2FN2O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID135148781
Molecular FormulaC24H19Cl2FN2O2
Molecular Weight457.33 g/mol
Exact Mass456.08
IUPAC Name4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCOc1cccc(F)c1-c1cc2c(cc1Cl)c(Cl)nc(=O)n2-c1ccccc1C(C)C
InChIInChI=1S/C24H19Cl2FN2O2/c1-13(2)14-7-4-5-9-19(14)29-20-12-15(22-18(27)8-6-10-21(22)31-3)17(25)11-16(20)23(26)28-24(29)30/h4-13H,1-3H3
InChIKeyINQUMWUPQPILHZ-UHFFFAOYSA-N
XLogP6.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 135148781) is 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one is COc1cccc(F)c1-c1cc2c(cc1Cl)c(Cl)nc(=O)n2-c1ccccc1C(C)C.
What is the InChIKey of 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is INQUMWUPQPILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O2/c1-13(2)14-7-4-5-9-19(14)29-20-12-15(22-18(27)8-6-10-21(22)31-3)17(25)11-16(20)23(26)28-24(29)30/h4-13H,1-3H3.
What are the key properties of 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one?
4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 457.33 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-(2-fluoro-6-methoxyphenyl)-1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 135148781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).