8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one

C19H12ClFN2O2 — CID 1211385

IUPAC8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one
SMILESO=C1c2cccnc2Oc2ccc(Cl)cc2N1Cc1ccc(F)cc1
InChIInChI=1S/C19H12ClFN2O2/c20-13-5-8-17-16(10-13)23(11-12-3-6-14(21)7-4-12)19(24)15-2-1-9-22-18(15)25-17/h1-10H,11H2
InChIKeyBAXNUNBQYVPQRX-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.83
Rot. Bonds2

About 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one

8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one (PubChem CID 1211385) has the molecular formula C19H12ClFN2O2 and a molecular weight of 354.77 g/mol. Its IUPAC name is 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one.

Molecular Properties

Compound Name8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one
PubChem CID1211385
Molecular FormulaC19H12ClFN2O2
Molecular Weight354.77 g/mol
Exact Mass354.06
IUPAC Name8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one
SMILESO=C1c2cccnc2Oc2ccc(Cl)cc2N1Cc1ccc(F)cc1
InChIInChI=1S/C19H12ClFN2O2/c20-13-5-8-17-16(10-13)23(11-12-3-6-14(21)7-4-12)19(24)15-2-1-9-22-18(15)25-17/h1-10H,11H2
InChIKeyBAXNUNBQYVPQRX-UHFFFAOYSA-N
XLogP4.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one?
The IUPAC name of 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one (CID 1211385) is 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one.
What is the SMILES notation for 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one?
The canonical SMILES for 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one is O=C1c2cccnc2Oc2ccc(Cl)cc2N1Cc1ccc(F)cc1.
What is the InChIKey of 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one?
The InChIKey is BAXNUNBQYVPQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2/c20-13-5-8-17-16(10-13)23(11-12-3-6-14(21)7-4-12)19(24)15-2-1-9-22-18(15)25-17/h1-10H,11H2.
What are the key properties of 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one?
8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one has a molecular weight of 354.77 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[(4-fluorophenyl)methyl]pyrido[2,3-b][1,5]benzoxazepin-5-one is sourced from PubChem (CID 1211385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).