2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

C22H22N2O2 — CID 126618872

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCOc1cc(-c2ccc3c(n2)CCNC3)ccc1OCc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-25-22-13-17(19-9-7-18-14-23-12-11-20(18)24-19)8-10-21(22)26-15-16-5-3-2-4-6-16/h2-10,13,23H,11-12,14-15H2,1H3
InChIKeyGCGFQISFAFECKW-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds5

About 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 126618872) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID126618872
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCOc1cc(-c2ccc3c(n2)CCNC3)ccc1OCc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-25-22-13-17(19-9-7-18-14-23-12-11-20(18)24-19)8-10-21(22)26-15-16-5-3-2-4-6-16/h2-10,13,23H,11-12,14-15H2,1H3
InChIKeyGCGFQISFAFECKW-UHFFFAOYSA-N
XLogP3.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126618832
2-(2-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126619037
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
CID 142664701
1-[(1R)-2,2,2-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine
CID 171181228
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565
2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
CID 19049290
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 126618872) is 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is COc1cc(-c2ccc3c(n2)CCNC3)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is GCGFQISFAFECKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-25-22-13-17(19-9-7-18-14-23-12-11-20(18)24-19)8-10-21(22)26-15-16-5-3-2-4-6-16/h2-10,13,23H,11-12,14-15H2,1H3.
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine?
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 346.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 126618872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).