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

C19H19F2NO4 — CID 126596105

IUPAC2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
SMILESCCCOc1ccccc1C1CC(O)Nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C19H19F2NO4/c1-2-7-24-15-6-4-3-5-11(15)12-9-18(23)22-14-10-17-16(8-13(12)14)25-19(20,21)26-17/h3-6,8,10,12,18,22-23H,2,7,9H2,1H3
InChIKeyPXXHWNDLWHYGAT-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.06
Rot. Bonds4

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

2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol (PubChem CID 126596105) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol.

Molecular Properties

Compound Name2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
PubChem CID126596105
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
SMILESCCCOc1ccccc1C1CC(O)Nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C19H19F2NO4/c1-2-7-24-15-6-4-3-5-11(15)12-9-18(23)22-14-10-17-16(8-13(12)14)25-19(20,21)26-17/h3-6,8,10,12,18,22-23H,2,7,9H2,1H3
InChIKeyPXXHWNDLWHYGAT-UHFFFAOYSA-N
XLogP4.06
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.06
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 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
The IUPAC name of 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol (CID 126596105) is 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol.
What is the SMILES notation for 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
The canonical SMILES for 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol is CCCOc1ccccc1C1CC(O)Nc2cc3c(cc21)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
The InChIKey is PXXHWNDLWHYGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-2-7-24-15-6-4-3-5-11(15)12-9-18(23)22-14-10-17-16(8-13(12)14)25-19(20,21)26-17/h3-6,8,10,12,18,22-23H,2,7,9H2,1H3.
What are the key properties of 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol?
2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol has a molecular weight of 363.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol is sourced from PubChem (CID 126596105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).