1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine

C22H24N2O3 — CID 70960929

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine
SMILESCOc1ccc(CN2CCCc3cnc4ccc(OC)cc4c32)c(OC)c1
InChIInChI=1S/C22H24N2O3/c1-25-17-8-9-20-19(11-17)22-15(13-23-20)5-4-10-24(22)14-16-6-7-18(26-2)12-21(16)27-3/h6-9,11-13H,4-5,10,14H2,1-3H3
InChIKeyZELUPYKDKAGVPC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.21
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine

1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine (PubChem CID 70960929) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine
PubChem CID70960929
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine
SMILESCOc1ccc(CN2CCCc3cnc4ccc(OC)cc4c32)c(OC)c1
InChIInChI=1S/C22H24N2O3/c1-25-17-8-9-20-19(11-17)22-15(13-23-20)5-4-10-24(22)14-16-6-7-18(26-2)12-21(16)27-3/h6-9,11-13H,4-5,10,14H2,1-3H3
InChIKeyZELUPYKDKAGVPC-UHFFFAOYSA-N
XLogP4.21
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine with MolForge

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Related Compounds

8-methoxy-1-(3-propylhexyl)-2,3-dihydropyrrolo[3,2-c]quinoline
CID 143875870
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
2-[3-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1,3-diazepan-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 171844163
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608958
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960913
6-[(2,4-dimethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960863
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine (CID 70960929) is 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine is COc1ccc(CN2CCCc3cnc4ccc(OC)cc4c32)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine?
The InChIKey is ZELUPYKDKAGVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-25-17-8-9-20-19(11-17)22-15(13-23-20)5-4-10-24(22)14-16-6-7-18(26-2)12-21(16)27-3/h6-9,11-13H,4-5,10,14H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine?
1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine has a molecular weight of 364.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-9-methoxy-3,4-dihydro-2H-benzo[h][1,6]naphthyridine is sourced from PubChem (CID 70960929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).