8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

C14H13ClN2O — CID 24860292

IUPAC8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESClc1ccc(-c2ccc3c(n2)OCCNC3)cc1
InChIInChI=1S/C14H13ClN2O/c15-12-4-1-10(2-5-12)13-6-3-11-9-16-7-8-18-14(11)17-13/h1-6,16H,7-9H2
InChIKeyKDNWVAFUWFEAKQ-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.88
Rot. Bonds1

About 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (PubChem CID 24860292) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
PubChem CID24860292
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESClc1ccc(-c2ccc3c(n2)OCCNC3)cc1
InChIInChI=1S/C14H13ClN2O/c15-12-4-1-10(2-5-12)13-6-3-11-9-16-7-8-18-14(11)17-13/h1-6,16H,7-9H2
InChIKeyKDNWVAFUWFEAKQ-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The IUPAC name of 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (CID 24860292) is 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.
What is the SMILES notation for 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The canonical SMILES for 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is Clc1ccc(-c2ccc3c(n2)OCCNC3)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The InChIKey is KDNWVAFUWFEAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-4-1-10(2-5-12)13-6-3-11-9-16-7-8-18-14(11)17-13/h1-6,16H,7-9H2.
What are the key properties of 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine has a molecular weight of 260.72 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is sourced from PubChem (CID 24860292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).