(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one

C19H14F2N2O — CID 163214386

IUPAC(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2cc(F)ccc2nc2n1CCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C19H14F2N2O/c20-14-5-3-12(4-6-14)10-13-2-1-9-23-18(13)22-17-8-7-15(21)11-16(17)19(23)24/h3-8,10-11H,1-2,9H2/b13-10+
InChIKeyIDWSQTTXAPOUPG-JLHYYAGUSA-N
MW324.33 g/mol
LogP4.01
Rot. Bonds1

About (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one

(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 163214386) has the molecular formula C19H14F2N2O and a molecular weight of 324.33 g/mol. Its IUPAC name is (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
PubChem CID163214386
Molecular FormulaC19H14F2N2O
Molecular Weight324.33 g/mol
Exact Mass324.11
IUPAC Name(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2cc(F)ccc2nc2n1CCC/C2=C\c1ccc(F)cc1
InChIInChI=1S/C19H14F2N2O/c20-14-5-3-12(4-6-14)10-13-2-1-9-23-18(13)22-17-8-7-15(21)11-16(17)19(23)24/h3-8,10-11H,1-2,9H2/b13-10+
InChIKeyIDWSQTTXAPOUPG-JLHYYAGUSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one (CID 163214386) is (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is O=c1c2cc(F)ccc2nc2n1CCC/C2=C\c1ccc(F)cc1.
What is the InChIKey of (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is IDWSQTTXAPOUPG-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H14F2N2O/c20-14-5-3-12(4-6-14)10-13-2-1-9-23-18(13)22-17-8-7-15(21)11-16(17)19(23)24/h3-8,10-11H,1-2,9H2/b13-10+.
What are the key properties of (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 324.33 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 163214386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).