10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine

C18H18N4O2 — CID 59471521

IUPAC10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
SMILESCOc1cc2c(cc1OCc1ccccc1)CCCn1nnnc1-2
InChIInChI=1S/C18H18N4O2/c1-23-16-11-15-14(8-5-9-22-18(15)19-20-21-22)10-17(16)24-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyLQSPQKADFNOYBN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.87
Rot. Bonds4

About 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine

10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine (PubChem CID 59471521) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine.

Molecular Properties

Compound Name10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
PubChem CID59471521
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
SMILESCOc1cc2c(cc1OCc1ccccc1)CCCn1nnnc1-2
InChIInChI=1S/C18H18N4O2/c1-23-16-11-15-14(8-5-9-22-18(15)19-20-21-22)10-17(16)24-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyLQSPQKADFNOYBN-UHFFFAOYSA-N
XLogP2.87
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine with MolForge

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Related Compounds

9-butoxy-10-methoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine
CID 70849666
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
6-methoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium chloride
CID 44723298
7-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-6-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide
CID 2752417
4-chloro-9,10-dimethoxy-2-phenylmethoxy-6,7-dihydro-4H-benzo[a]quinolizine
CID 155017293
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine?
The IUPAC name of 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine (CID 59471521) is 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine.
What is the SMILES notation for 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine?
The canonical SMILES for 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine is COc1cc2c(cc1OCc1ccccc1)CCCn1nnnc1-2.
What is the InChIKey of 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine?
The InChIKey is LQSPQKADFNOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-16-11-15-14(8-5-9-22-18(15)19-20-21-22)10-17(16)24-12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine?
10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine has a molecular weight of 322.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-9-phenylmethoxy-6,7-dihydro-5H-tetrazolo[5,1-a][2]benzazepine is sourced from PubChem (CID 59471521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).