7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine

C24H22N2O3 — CID 102291119

IUPAC7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine
SMILESCOc1ccc(-c2nc(-c3ccc(C)cc3)cc3ncccc23)c(OC)c1OC
InChIInChI=1S/C24H22N2O3/c1-15-7-9-16(10-8-15)19-14-20-17(6-5-13-25-20)22(26-19)18-11-12-21(27-2)24(29-4)23(18)28-3/h5-14H,1-4H3
InChIKeyHAFHIQXOTCASFY-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.30
Rot. Bonds5

About 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine

7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine (PubChem CID 102291119) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine
PubChem CID102291119
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine
SMILESCOc1ccc(-c2nc(-c3ccc(C)cc3)cc3ncccc23)c(OC)c1OC
InChIInChI=1S/C24H22N2O3/c1-15-7-9-16(10-8-15)19-14-20-17(6-5-13-25-20)22(26-19)18-11-12-21(27-2)24(29-4)23(18)28-3/h5-14H,1-4H3
InChIKeyHAFHIQXOTCASFY-UHFFFAOYSA-N
XLogP5.30
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine?
The IUPAC name of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine (CID 102291119) is 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine.
What is the SMILES notation for 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine?
The canonical SMILES for 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine is COc1ccc(-c2nc(-c3ccc(C)cc3)cc3ncccc23)c(OC)c1OC.
What is the InChIKey of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine?
The InChIKey is HAFHIQXOTCASFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-7-9-16(10-8-15)19-14-20-17(6-5-13-25-20)22(26-19)18-11-12-21(27-2)24(29-4)23(18)28-3/h5-14H,1-4H3.
What are the key properties of 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine?
7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine has a molecular weight of 386.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-(2,3,4-trimethoxyphenyl)-1,6-naphthyridine is sourced from PubChem (CID 102291119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).