4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

C16H18N2O2 — CID 155598161

IUPAC4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESCOc1ccc(C2CNCc3cnccc32)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-4-3-11(7-16(15)20-2)14-10-18-9-12-8-17-6-5-13(12)14/h3-8,14,18H,9-10H2,1-2H3
InChIKeyJXYWMAWQHDYPFC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.33
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine (PubChem CID 155598161) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
PubChem CID155598161
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESCOc1ccc(C2CNCc3cnccc32)cc1OC
InChIInChI=1S/C16H18N2O2/c1-19-15-4-3-11(7-16(15)20-2)14-10-18-9-12-8-17-6-5-13(12)14/h3-8,14,18H,9-10H2,1-2H3
InChIKeyJXYWMAWQHDYPFC-UHFFFAOYSA-N
XLogP2.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 67721838
4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 10540962
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol
CID 7055092
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
azane;7-(3,4-dimethoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 67741976
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10882055
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
CID 139798871
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine (CID 155598161) is 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine is COc1ccc(C2CNCc3cnccc32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine?
The InChIKey is JXYWMAWQHDYPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-15-4-3-11(7-16(15)20-2)14-10-18-9-12-8-17-6-5-13(12)14/h3-8,14,18H,9-10H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine?
4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine has a molecular weight of 270.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 155598161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).