3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol

C22H21N3O5 — CID 23078505

IUPAC3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol
SMILESCOc1cc2c(Oc3cc4cccnc4nc3C)ccnc2cc1OCC(O)CO
InChIInChI=1S/C22H21N3O5/c1-13-19(8-14-4-3-6-24-22(14)25-13)30-18-5-7-23-17-10-21(29-12-15(27)11-26)20(28-2)9-16(17)18/h3-10,15,26-27H,11-12H2,1-2H3
InChIKeyOQNJADWAGNYBSA-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.02
Rot. Bonds7

About 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol

3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol (PubChem CID 23078505) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol
PubChem CID23078505
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol
SMILESCOc1cc2c(Oc3cc4cccnc4nc3C)ccnc2cc1OCC(O)CO
InChIInChI=1S/C22H21N3O5/c1-13-19(8-14-4-3-6-24-22(14)25-13)30-18-5-7-23-17-10-21(29-12-15(27)11-26)20(28-2)9-16(17)18/h3-10,15,26-27H,11-12H2,1-2H3
InChIKeyOQNJADWAGNYBSA-UHFFFAOYSA-N
XLogP3.02
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol (CID 23078505) is 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol is COc1cc2c(Oc3cc4cccnc4nc3C)ccnc2cc1OCC(O)CO.
What is the InChIKey of 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol?
The InChIKey is OQNJADWAGNYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-13-19(8-14-4-3-6-24-22(14)25-13)30-18-5-7-23-17-10-21(29-12-15(27)11-26)20(28-2)9-16(17)18/h3-10,15,26-27H,11-12H2,1-2H3.
What are the key properties of 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol?
3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol has a molecular weight of 407.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol is sourced from PubChem (CID 23078505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).