benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride

C14H11ClN2O2 — CID 19390613

IUPACbenzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1C=Nc1ccccc1O2
InChIInChI=1S/C14H10N2O2.ClH/c15-14(17)9-4-3-7-12-10(9)8-16-11-5-1-2-6-13(11)18-12;/h1-8H,(H2,15,17);1H
InChIKeyKLQVLDVMRFOWKM-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.06
Rot. Bonds1

About benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride

benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride (PubChem CID 19390613) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Namebenzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride
PubChem CID19390613
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Namebenzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1C=Nc1ccccc1O2
InChIInChI=1S/C14H10N2O2.ClH/c15-14(17)9-4-3-7-12-10(9)8-16-11-5-1-2-6-13(11)18-12;/h1-8H,(H2,15,17);1H
InChIKeyKLQVLDVMRFOWKM-UHFFFAOYSA-N
XLogP3.06
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride?
The IUPAC name of benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride (CID 19390613) is benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride.
What is the SMILES notation for benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride?
The canonical SMILES for benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride is Cl.NC(=O)c1cccc2c1C=Nc1ccccc1O2.
What is the InChIKey of benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride?
The InChIKey is KLQVLDVMRFOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2.ClH/c15-14(17)9-4-3-7-12-10(9)8-16-11-5-1-2-6-13(11)18-12;/h1-8H,(H2,15,17);1H.
What are the key properties of benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride?
benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride has a molecular weight of 274.71 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1,4]benzoxazepine-7-carboxamide;hydrochloride is sourced from PubChem (CID 19390613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).