7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one

C20H22N2O5 — CID 24959703

IUPAC7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)cc2n1
InChIInChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)19(11)27-6-5-23)14-9-15-18(20(24)22-14)16(25-3)10-17(21-15)26-4/h7-10,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyCXTSLSCHXKYMAJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.60
Rot. Bonds6

About 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one

7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one (PubChem CID 24959703) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one
PubChem CID24959703
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)cc2n1
InChIInChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)19(11)27-6-5-23)14-9-15-18(20(24)22-14)16(25-3)10-17(21-15)26-4/h7-10,23H,5-6H2,1-4H3,(H,22,24)
InChIKeyCXTSLSCHXKYMAJ-UHFFFAOYSA-N
XLogP2.60
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one (CID 24959703) is 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one is COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)cc2n1.
What is the InChIKey of 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one?
The InChIKey is CXTSLSCHXKYMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)19(11)27-6-5-23)14-9-15-18(20(24)22-14)16(25-3)10-17(21-15)26-4/h7-10,23H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one?
7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one has a molecular weight of 370.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-2,4-dimethoxy-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 24959703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).