8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol

C18H17F2NO4 — CID 126595914

IUPAC8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
SMILESCCOc1ccccc1C1CC(O)Nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C18H17F2NO4/c1-2-23-14-6-4-3-5-10(14)11-8-17(22)21-13-9-16-15(7-12(11)13)24-18(19,20)25-16/h3-7,9,11,17,21-22H,2,8H2,1H3
InChIKeyNZUKQVHHIIPVLL-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.67
Rot. Bonds3

About 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol

8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol (PubChem CID 126595914) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol.

Molecular Properties

Compound Name8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
PubChem CID126595914
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
SMILESCCOc1ccccc1C1CC(O)Nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C18H17F2NO4/c1-2-23-14-6-4-3-5-10(14)11-8-17(22)21-13-9-16-15(7-12(11)13)24-18(19,20)25-16/h3-7,9,11,17,21-22H,2,8H2,1H3
InChIKeyNZUKQVHHIIPVLL-UHFFFAOYSA-N
XLogP3.67
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
The IUPAC name of 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol (CID 126595914) is 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol.
What is the SMILES notation for 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
The canonical SMILES for 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol is CCOc1ccccc1C1CC(O)Nc2cc3c(cc21)OC(F)(F)O3.
What is the InChIKey of 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
The InChIKey is NZUKQVHHIIPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c1-2-23-14-6-4-3-5-10(14)11-8-17(22)21-13-9-16-15(7-12(11)13)24-18(19,20)25-16/h3-7,9,11,17,21-22H,2,8H2,1H3.
What are the key properties of 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol has a molecular weight of 349.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol is sourced from PubChem (CID 126595914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).