N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol

C33H37F7N4O4 — CID 165395563

IUPACN-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol
SMILESC=C(NCC(C1=CC2=C(OCC2F)C(c2ccc(F)cc2)N1)C(F)(F)F)c1cc(OCC(F)F)c2ncccc2c1.CC.CO.NC=O
InChIInChI=1S/C29H24F7N3O2.C2H6.CH3NO.CH4O/c1-15(18-9-17-3-2-8-37-26(17)24(10-18)40-14-25(32)33)38-12-21(29(34,35)36)23-11-20-22(31)13-41-28(20)27(39-23)16-4-6-19(30)7-5-16;1-2;2-1-3;1-2/h2-11,21-22,25,27,38-39H,1,12-14H2;1-2H3;1H,(H2,2,3);2H,1H3
InChIKeyYTBZCRNCSTUEOI-UHFFFAOYSA-N
MW686.67 g/mol
LogP6.34
Rot. Bonds9

About N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol

N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol (PubChem CID 165395563) has the molecular formula C33H37F7N4O4 and a molecular weight of 686.67 g/mol. Its IUPAC name is N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol.

Molecular Properties

Compound NameN-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol
PubChem CID165395563
Molecular FormulaC33H37F7N4O4
Molecular Weight686.67 g/mol
Exact Mass686.27
IUPAC NameN-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol
SMILESC=C(NCC(C1=CC2=C(OCC2F)C(c2ccc(F)cc2)N1)C(F)(F)F)c1cc(OCC(F)F)c2ncccc2c1.CC.CO.NC=O
InChIInChI=1S/C29H24F7N3O2.C2H6.CH3NO.CH4O/c1-15(18-9-17-3-2-8-37-26(17)24(10-18)40-14-25(32)33)38-12-21(29(34,35)36)23-11-20-22(31)13-41-28(20)27(39-23)16-4-6-19(30)7-5-16;1-2;2-1-3;1-2/h2-11,21-22,25,27,38-39H,1,12-14H2;1-2H3;1H,(H2,2,3);2H,1H3
InChIKeyYTBZCRNCSTUEOI-UHFFFAOYSA-N
XLogP6.34
TPSA118.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.67
LogP ≤ 56.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10155760, Example 133
CID 129279962
N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide
CID 90328826
8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate-8-(2,2,2-trifluoroethoxy)quinoline (1/1)
CID 139081043
6-Butyl-8-(4-piperidinyloxy)quinoline
CID 57926048
2-(2-fluorophenoxy)-N-(2-(quinolin-8-yloxy)ethyl)acetamide
CID 45505672
2-[2-(dimethylamino)ethoxy]-5-fluoro-N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-4-pyridin-4-ylaniline;tetrakis(2,2,2-trifluoroacetic acid)
CID 117077524
8-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]quinoline
CID 129904829
(3S)-1-(4-fluorophenyl)-N-(2-quinolin-8-yloxyethyl)pyrrolidin-3-amine
CID 171359083
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
CID 10113083
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
CID 10159594
N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
CID 10179725
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
CID 10203716

Frequently Asked Questions

What is the IUPAC name of N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol?
The IUPAC name of N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol (CID 165395563) is N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol.
What is the SMILES notation for N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol?
The canonical SMILES for N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol is C=C(NCC(C1=CC2=C(OCC2F)C(c2ccc(F)cc2)N1)C(F)(F)F)c1cc(OCC(F)F)c2ncccc2c1.CC.CO.NC=O.
What is the InChIKey of N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol?
The InChIKey is YTBZCRNCSTUEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F7N3O2.C2H6.CH3NO.CH4O/c1-15(18-9-17-3-2-8-37-26(17)24(10-18)40-14-25(32)33)38-12-21(29(34,35)36)23-11-20-22(31)13-41-28(20)27(39-23)16-4-6-19(30)7-5-16;1-2;2-1-3;1-2/h2-11,21-22,25,27,38-39H,1,12-14H2;1-2H3;1H,(H2,2,3);2H,1H3.
What are the key properties of N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol?
N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol has a molecular weight of 686.67 g/mol, XLogP of 6.34, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-(2,2-difluoroethoxy)quinolin-6-yl]ethenyl]-3,3,3-trifluoro-2-[3-fluoro-7-(4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-c]pyridin-5-yl]propan-1-amine;ethane;formamide;methanol is sourced from PubChem (CID 165395563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).