7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

C24H26N2O2 — CID 70665128

IUPAC7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCOc1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C24H26N2O2/c1-17-7-12-26-21(13-17)16-28-24-6-5-22(27-2)15-23(24)20-4-3-18-8-10-25-11-9-19(18)14-20/h3-7,12-15,25H,8-11,16H2,1-2H3
InChIKeyNEKARSRXGYDKMG-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.33
Rot. Bonds5

About 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 70665128) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID70665128
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCOc1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1
InChIInChI=1S/C24H26N2O2/c1-17-7-12-26-21(13-17)16-28-24-6-5-22(27-2)15-23(24)20-4-3-18-8-10-25-11-9-19(18)14-20/h3-7,12-15,25H,8-11,16H2,1-2H3
InChIKeyNEKARSRXGYDKMG-UHFFFAOYSA-N
XLogP4.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 70665128) is 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine is COc1ccc(OCc2cc(C)ccn2)c(-c2ccc3c(c2)CCNCC3)c1.
What is the InChIKey of 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is NEKARSRXGYDKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-7-12-26-21(13-17)16-28-24-6-5-22(27-2)15-23(24)20-4-3-18-8-10-25-11-9-19(18)14-20/h3-7,12-15,25H,8-11,16H2,1-2H3.
What are the key properties of 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 374.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 70665128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).