7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

C22H25N3O2 — CID 24731729

IUPAC7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESCOc1ccc(CCN2CCc3nc4ncc(C)cc4cc3C2)cc1OC
InChIInChI=1S/C22H25N3O2/c1-15-10-17-12-18-14-25(9-7-19(18)24-22(17)23-13-15)8-6-16-4-5-20(26-2)21(11-16)27-3/h4-5,10-13H,6-9,14H2,1-3H3
InChIKeyXSYBOBXZZZYCBQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.56
Rot. Bonds5

About 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine

7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (PubChem CID 24731729) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
PubChem CID24731729
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
SMILESCOc1ccc(CCN2CCc3nc4ncc(C)cc4cc3C2)cc1OC
InChIInChI=1S/C22H25N3O2/c1-15-10-17-12-18-14-25(9-7-19(18)24-22(17)23-13-15)8-6-16-4-5-20(26-2)21(11-16)27-3/h4-5,10-13H,6-9,14H2,1-3H3
InChIKeyXSYBOBXZZZYCBQ-UHFFFAOYSA-N
XLogP3.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine with MolForge

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Related Compounds

3-methyl-7-(2-phenylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731725
3-methyl-7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731734
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
4-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950155
7-[2-(4-chlorophenyl)ethyl]-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731639
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
4-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)ethyl]-N,N-dimethylaniline
CID 24731654
6-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930089
3-chloro-7-(2-pyridin-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731787
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The IUPAC name of 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine (CID 24731729) is 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The canonical SMILES for 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is COc1ccc(CCN2CCc3nc4ncc(C)cc4cc3C2)cc1OC.
What is the InChIKey of 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
The InChIKey is XSYBOBXZZZYCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-10-17-12-18-14-25(9-7-19(18)24-22(17)23-13-15)8-6-16-4-5-20(26-2)21(11-16)27-3/h4-5,10-13H,6-9,14H2,1-3H3.
What are the key properties of 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine?
7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine has a molecular weight of 363.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 24731729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).