2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one

C24H17FN2O — CID 139234701

IUPAC2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc(F)cc2)Nc2c1c1cccccc-1c2-c1ccccc1
InChIInChI=1S/C24H17FN2O/c25-17-13-11-16(12-14-17)23-26-22-20(15-7-3-1-4-8-15)18-9-5-2-6-10-19(18)21(22)24(28)27-23/h1-14,23,26H,(H,27,28)
InChIKeyNILYTQTZJBXLDK-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.45
Rot. Bonds2

About 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one

2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one (PubChem CID 139234701) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
PubChem CID139234701
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
SMILESO=C1NC(c2ccc(F)cc2)Nc2c1c1cccccc-1c2-c1ccccc1
InChIInChI=1S/C24H17FN2O/c25-17-13-11-16(12-14-17)23-26-22-20(15-7-3-1-4-8-15)18-9-5-2-6-10-19(18)21(22)24(28)27-23/h1-14,23,26H,(H,27,28)
InChIKeyNILYTQTZJBXLDK-UHFFFAOYSA-N
XLogP5.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one (CID 139234701) is 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one is O=C1NC(c2ccc(F)cc2)Nc2c1c1cccccc-1c2-c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The InChIKey is NILYTQTZJBXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c25-17-13-11-16(12-14-17)23-26-22-20(15-7-3-1-4-8-15)18-9-5-2-6-10-19(18)21(22)24(28)27-23/h1-14,23,26H,(H,27,28).
What are the key properties of 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one has a molecular weight of 368.41 g/mol, XLogP of 5.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one is sourced from PubChem (CID 139234701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).