8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

C27H25N3O3 — CID 20868761

IUPAC8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1OC
InChIInChI=1S/C27H25N3O3/c1-4-33-21-13-14-24-22(15-21)27-23(17-30(24)16-19-7-5-6-8-25(19)32-3)26(28-29-27)18-9-11-20(31-2)12-10-18/h5-15,17H,4,16H2,1-3H3
InChIKeyFXOZFCAACYVEMR-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.67
Rot. Bonds7

About 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 20868761) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID20868761
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1OC
InChIInChI=1S/C27H25N3O3/c1-4-33-21-13-14-24-22(15-21)27-23(17-30(24)16-19-7-5-6-8-25(19)32-3)26(28-29-27)18-9-11-20(31-2)12-10-18/h5-15,17H,4,16H2,1-3H3
InChIKeyFXOZFCAACYVEMR-UHFFFAOYSA-N
XLogP5.67
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 20868761) is 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1OC.
What is the InChIKey of 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is FXOZFCAACYVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-4-33-21-13-14-24-22(15-21)27-23(17-30(24)16-19-7-5-6-8-25(19)32-3)26(28-29-27)18-9-11-20(31-2)12-10-18/h5-15,17H,4,16H2,1-3H3.
What are the key properties of 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline has a molecular weight of 439.52 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20868761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).