3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine

C18H16N2O — CID 11471385

IUPAC3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine
SMILESCOc1ccc2c(c1)CCC1=C2Nc2ccccc2N=C1
InChIInChI=1S/C18H16N2O/c1-21-14-8-9-15-12(10-14)6-7-13-11-19-16-4-2-3-5-17(16)20-18(13)15/h2-5,8-11,20H,6-7H2,1H3
InChIKeySQLOJYLAHRGFKE-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.18
Rot. Bonds1

About 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine

3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine (PubChem CID 11471385) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine.

Molecular Properties

Compound Name3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine
PubChem CID11471385
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine
SMILESCOc1ccc2c(c1)CCC1=C2Nc2ccccc2N=C1
InChIInChI=1S/C18H16N2O/c1-21-14-8-9-15-12(10-14)6-7-13-11-19-16-4-2-3-5-17(16)20-18(13)15/h2-5,8-11,20H,6-7H2,1H3
InChIKeySQLOJYLAHRGFKE-UHFFFAOYSA-N
XLogP4.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine?
The IUPAC name of 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine (CID 11471385) is 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine.
What is the SMILES notation for 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine?
The canonical SMILES for 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine is COc1ccc2c(c1)CCC1=C2Nc2ccccc2N=C1.
What is the InChIKey of 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine?
The InChIKey is SQLOJYLAHRGFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-14-8-9-15-12(10-14)6-7-13-11-19-16-4-2-3-5-17(16)20-18(13)15/h2-5,8-11,20H,6-7H2,1H3.
What are the key properties of 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine?
3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine has a molecular weight of 276.34 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6,13-dihydro-5H-naphtho[1,2-b][1,5]benzodiazepine is sourced from PubChem (CID 11471385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).