8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride

C30H33ClN6O3 — CID 22132464

About 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride

8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride (PubChem CID 22132464) has the molecular formula C30H33ClN6O3 and a molecular weight of 561.09 g/mol. Its IUPAC name is 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride.

Molecular Properties

• Compound Name: 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride
• PubChem CID: 22132464
• Molecular Formula: C30H33ClN6O3
• Molecular Weight: 561.09 g/mol
• Exact Mass: 560.23
• IUPAC Name: 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride
• SMILES: COc1ccc(Cn2nnc(-c3ccc(C4=NC5CCN(C)CC5c5cc(OC)c(OC)cc54)cc3)n2)cc1.Cl
• InChI: InChI=1S/C30H32N6O3.ClH/c1-35-14-13-26-25(18-35)23-15-27(38-3)28(39-4)16-24(23)29(31-26)20-7-9-21(10-8-20)30-32-34-36(33-30)17-19-5-11-22(37-2)12-6-19;/h5-12,15-16,25-26H,13-14,17-18H2,1-4H3;1H
• InChIKey: TWXZBHUGWCTUIT-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 86.89 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.09
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride?

The IUPAC name of 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride (CID 22132464) is 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride.

What is the SMILES notation for 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride?

The canonical SMILES for 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride is COc1ccc(Cn2nnc(-c3ccc(C4=NC5CCN(C)CC5c5cc(OC)c(OC)cc54)cc3)n2)cc1.Cl.

What is the InChIKey of 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride?

The InChIKey is TWXZBHUGWCTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3.ClH/c1-35-14-13-26-25(18-35)23-15-27(38-3)28(39-4)16-24(23)29(31-26)20-7-9-21(10-8-20)30-32-34-36(33-30)17-19-5-11-22(37-2)12-6-19;/h5-12,15-16,25-26H,13-14,17-18H2,1-4H3;1H.

What are the key properties of 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride?

8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride has a molecular weight of 561.09 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-dimethoxy-6-[4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride is sourced from PubChem (CID 22132464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).