2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

C23H24N2O2 — CID 45167388

IUPAC2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCOc1ccccc1C1CN(Cc2cccc(C)n2)Cc2ccccc2O1
InChIInChI=1S/C23H24N2O2/c1-17-8-7-10-19(24-17)15-25-14-18-9-3-5-12-21(18)27-23(16-25)20-11-4-6-13-22(20)26-2/h3-13,23H,14-16H2,1-2H3
InChIKeyMLXJSPDFMKDBTM-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.53
Rot. Bonds4

About 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 45167388) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID45167388
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCOc1ccccc1C1CN(Cc2cccc(C)n2)Cc2ccccc2O1
InChIInChI=1S/C23H24N2O2/c1-17-8-7-10-19(24-17)15-25-14-18-9-3-5-12-21(18)27-23(16-25)20-11-4-6-13-22(20)26-2/h3-13,23H,14-16H2,1-2H3
InChIKeyMLXJSPDFMKDBTM-UHFFFAOYSA-N
XLogP4.53
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine (CID 45167388) is 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine is COc1ccccc1C1CN(Cc2cccc(C)n2)Cc2ccccc2O1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is MLXJSPDFMKDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17-8-7-10-19(24-17)15-25-14-18-9-3-5-12-21(18)27-23(16-25)20-11-4-6-13-22(20)26-2/h3-13,23H,14-16H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine?
2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 360.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 45167388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).