6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one

C21H13F2N3O — CID 18363013

IUPAC6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F
InChIInChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+
InChIKeyNKLRLPLSEJDIIC-PKNBQFBNSA-N
MW361.35 g/mol
LogP4.23
Rot. Bonds3

About 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one

6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one (PubChem CID 18363013) has the molecular formula C21H13F2N3O and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
PubChem CID18363013
Molecular FormulaC21H13F2N3O
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F
InChIInChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+
InChIKeyNKLRLPLSEJDIIC-PKNBQFBNSA-N
XLogP4.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one (CID 18363013) is 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is O=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1F.
What is the InChIKey of 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one?
The InChIKey is NKLRLPLSEJDIIC-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+.
What are the key properties of 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one?
6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one has a molecular weight of 361.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 18363013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).