8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine

C18H18N2O — CID 162263270

IUPAC8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine
SMILESC1=CCC(c2ccc3c(c2)CCc2cccnc2N3)OC1
InChIInChI=1S/C18H18N2O/c1-2-11-21-17(5-1)15-8-9-16-14(12-15)7-6-13-4-3-10-19-18(13)20-16/h1-4,8-10,12,17H,5-7,11H2,(H,19,20)
InChIKeyZZNWXIJZFUNWQX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.94
Rot. Bonds1

About 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine

8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine (PubChem CID 162263270) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine.

Molecular Properties

Compound Name8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine
PubChem CID162263270
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine
SMILESC1=CCC(c2ccc3c(c2)CCc2cccnc2N3)OC1
InChIInChI=1S/C18H18N2O/c1-2-11-21-17(5-1)15-8-9-16-14(12-15)7-6-13-4-3-10-19-18(13)20-16/h1-4,8-10,12,17H,5-7,11H2,(H,19,20)
InChIKeyZZNWXIJZFUNWQX-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine?
The IUPAC name of 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine (CID 162263270) is 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine.
What is the SMILES notation for 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine?
The canonical SMILES for 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine is C1=CCC(c2ccc3c(c2)CCc2cccnc2N3)OC1.
What is the InChIKey of 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine?
The InChIKey is ZZNWXIJZFUNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-11-21-17(5-1)15-8-9-16-14(12-15)7-6-13-4-3-10-19-18(13)20-16/h1-4,8-10,12,17H,5-7,11H2,(H,19,20).
What are the key properties of 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine?
8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine has a molecular weight of 278.36 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dihydro-2H-pyran-2-yl)-6,11-dihydro-5H-pyrido[2,3-b][1]benzazepine is sourced from PubChem (CID 162263270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).