3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one

C19H16FN3O — CID 54436023

IUPAC3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
SMILESNc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1F)CCC3
InChIInChI=1S/C19H16FN3O/c20-16-6-2-1-4-12(16)10-13-5-3-9-23-18(13)22-17-11-14(21)7-8-15(17)19(23)24/h1-2,4,6-8,10-11H,3,5,9,21H2
InChIKeyWKTNSUNUZLVMRE-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.45
Rot. Bonds1

About 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one

3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 54436023) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
PubChem CID54436023
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
SMILESNc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1F)CCC3
InChIInChI=1S/C19H16FN3O/c20-16-6-2-1-4-12(16)10-13-5-3-9-23-18(13)22-17-11-14(21)7-8-15(17)19(23)24/h1-2,4,6-8,10-11H,3,5,9,21H2
InChIKeyWKTNSUNUZLVMRE-UHFFFAOYSA-N
XLogP3.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one (CID 54436023) is 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1F)CCC3.
What is the InChIKey of 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is WKTNSUNUZLVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-16-6-2-1-4-12(16)10-13-5-3-9-23-18(13)22-17-11-14(21)7-8-15(17)19(23)24/h1-2,4,6-8,10-11H,3,5,9,21H2.
What are the key properties of 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 321.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 54436023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).