2-anilino-1-butylquinazolin-4-one

C18H19N3O — CID 23731821

IUPAC2-anilino-1-butylquinazolin-4-one
SMILESCCCCn1c(Nc2ccccc2)nc(=O)c2ccccc21
InChIInChI=1S/C18H19N3O/c1-2-3-13-21-16-12-8-7-11-15(16)17(22)20-18(21)19-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,20,22)
InChIKeyQOAIJPGPCBVZLO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.94
Rot. Bonds5

About 2-anilino-1-butylquinazolin-4-one

2-anilino-1-butylquinazolin-4-one (PubChem CID 23731821) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-anilino-1-butylquinazolin-4-one.

Molecular Properties

Compound Name2-anilino-1-butylquinazolin-4-one
PubChem CID23731821
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-anilino-1-butylquinazolin-4-one
SMILESCCCCn1c(Nc2ccccc2)nc(=O)c2ccccc21
InChIInChI=1S/C18H19N3O/c1-2-3-13-21-16-12-8-7-11-15(16)17(22)20-18(21)19-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,20,22)
InChIKeyQOAIJPGPCBVZLO-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-butylquinazolin-4-one?
The IUPAC name of 2-anilino-1-butylquinazolin-4-one (CID 23731821) is 2-anilino-1-butylquinazolin-4-one.
What is the SMILES notation for 2-anilino-1-butylquinazolin-4-one?
The canonical SMILES for 2-anilino-1-butylquinazolin-4-one is CCCCn1c(Nc2ccccc2)nc(=O)c2ccccc21.
What is the InChIKey of 2-anilino-1-butylquinazolin-4-one?
The InChIKey is QOAIJPGPCBVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-13-21-16-12-8-7-11-15(16)17(22)20-18(21)19-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,19,20,22).
What are the key properties of 2-anilino-1-butylquinazolin-4-one?
2-anilino-1-butylquinazolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-butylquinazolin-4-one is sourced from PubChem (CID 23731821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).