methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate

C22H19N3O5 — CID 171346145

IUPACmethyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Oc3cc(OC)cc(-n4cccn4)c3)ccnc2cc1OC
InChIInChI=1S/C22H19N3O5/c1-27-15-9-14(25-8-4-6-24-25)10-16(11-15)30-20-5-7-23-19-13-21(28-2)18(12-17(19)20)22(26)29-3/h4-13H,1-3H3
InChIKeyFNDDNEQGMGWYFO-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.02
Rot. Bonds6

About methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate

methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate (PubChem CID 171346145) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate
PubChem CID171346145
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Namemethyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Oc3cc(OC)cc(-n4cccn4)c3)ccnc2cc1OC
InChIInChI=1S/C22H19N3O5/c1-27-15-9-14(25-8-4-6-24-25)10-16(11-15)30-20-5-7-23-19-13-21(28-2)18(12-17(19)20)22(26)29-3/h4-13H,1-3H3
InChIKeyFNDDNEQGMGWYFO-UHFFFAOYSA-N
XLogP4.02
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate?
The IUPAC name of methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate (CID 171346145) is methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate is COC(=O)c1cc2c(Oc3cc(OC)cc(-n4cccn4)c3)ccnc2cc1OC.
What is the InChIKey of methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate?
The InChIKey is FNDDNEQGMGWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-27-15-9-14(25-8-4-6-24-25)10-16(11-15)30-20-5-7-23-19-13-21(28-2)18(12-17(19)20)22(26)29-3/h4-13H,1-3H3.
What are the key properties of methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate?
methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-(3-methoxy-5-pyrazol-1-ylphenoxy)quinoline-6-carboxylate is sourced from PubChem (CID 171346145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).