6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one

C22H15ClFN3O — CID 54092688

IUPAC6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
SMILESCc1ncccc1-n1c(C=Cc2ccccc2F)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H15ClFN3O/c1-14-20(7-4-12-25-14)27-21(11-8-15-5-2-3-6-18(15)24)26-19-10-9-16(23)13-17(19)22(27)28/h2-13H,1H3
InChIKeyMUYOEPSSWYWVES-UHFFFAOYSA-N
MW391.83 g/mol
LogP5.05
Rot. Bonds3

About 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one

6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one (PubChem CID 54092688) has the molecular formula C22H15ClFN3O and a molecular weight of 391.83 g/mol. Its IUPAC name is 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
PubChem CID54092688
Molecular FormulaC22H15ClFN3O
Molecular Weight391.83 g/mol
Exact Mass391.09
IUPAC Name6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
SMILESCc1ncccc1-n1c(C=Cc2ccccc2F)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H15ClFN3O/c1-14-20(7-4-12-25-14)27-21(11-8-15-5-2-3-6-18(15)24)26-19-10-9-16(23)13-17(19)22(27)28/h2-13H,1H3
InChIKeyMUYOEPSSWYWVES-UHFFFAOYSA-N
XLogP5.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
The IUPAC name of 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one (CID 54092688) is 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one is Cc1ncccc1-n1c(C=Cc2ccccc2F)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
The InChIKey is MUYOEPSSWYWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O/c1-14-20(7-4-12-25-14)27-21(11-8-15-5-2-3-6-18(15)24)26-19-10-9-16(23)13-17(19)22(27)28/h2-13H,1H3.
What are the key properties of 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one?
6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one has a molecular weight of 391.83 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 54092688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).