cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide

C37H43F2N3O6Si — CID 178037539

IUPACcis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)[C@H]4[C@@H](C(=O)Nc5ccc(F)cc5)C4(C)C)cc3F)c2cc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H43F2N3O6Si/c1-36(2,3)49(7,8)47-18-17-46-31-20-25-27(21-30(31)45-6)40-16-15-28(25)48-29-14-13-24(19-26(29)39)42-35(44)33-32(37(33,4)5)34(43)41-23-11-9-22(38)10-12-23/h9-16,19-21,32-33H,17-18H2,1-8H3,(H,41,43)(H,42,44)/t32-,33+/m0/s1
InChIKeyOGRMRNRKFYVKNQ-JHOUSYSJSA-N
MW691.85 g/mol
LogP8.56
Rot. Bonds12

About cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide (PubChem CID 178037539) has the molecular formula C37H43F2N3O6Si and a molecular weight of 691.85 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
PubChem CID178037539
Molecular FormulaC37H43F2N3O6Si
Molecular Weight691.85 g/mol
Exact Mass691.29
IUPAC Namecis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)[C@H]4[C@@H](C(=O)Nc5ccc(F)cc5)C4(C)C)cc3F)c2cc1OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H43F2N3O6Si/c1-36(2,3)49(7,8)47-18-17-46-31-20-25-27(21-30(31)45-6)40-16-15-28(25)48-29-14-13-24(19-26(29)39)42-35(44)33-32(37(33,4)5)34(43)41-23-11-9-22(38)10-12-23/h9-16,19-21,32-33H,17-18H2,1-8H3,(H,41,43)(H,42,44)/t32-,33+/m0/s1
InChIKeyOGRMRNRKFYVKNQ-JHOUSYSJSA-N
XLogP8.56
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.85
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide 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

cis-(1R,2S)-2-N-[3-fluoro-4-[6-methoxy-7-(3-methoxypropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
CID 178037413
cis-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-pyridin-3-ylcyclopropane-1,2-dicarboxamide
CID 178037513
cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
CID 178037610
1-N'-[4-[7-(3-bromopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779111
sodium;4-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;hydride
CID 175043268
sodium;5-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypentanoic acid;hydride
CID 175044490
tert-butyl N-[3-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 89471054
1-N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-2-methylcyclopropane-1,1-dicarboxamide
CID 76617955
magnesium bis(6-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyhexanoate)
CID 142330478
calcium bis(7-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyheptanoate)
CID 142330410
1-N'-[3-fluoro-4-[6-methoxy-7-[2-(morpholin-4-ylamino)ethoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139323382
potassium 2-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxyacetate
CID 139415241

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide (CID 178037539) is cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide is COc1cc2nccc(Oc3ccc(NC(=O)[C@H]4[C@@H](C(=O)Nc5ccc(F)cc5)C4(C)C)cc3F)c2cc1OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide?
The InChIKey is OGRMRNRKFYVKNQ-JHOUSYSJSA-N. The full InChI is InChI=1S/C37H43F2N3O6Si/c1-36(2,3)49(7,8)47-18-17-46-31-20-25-27(21-30(31)45-6)40-16-15-28(25)48-29-14-13-24(19-26(29)39)42-35(44)33-32(37(33,4)5)34(43)41-23-11-9-22(38)10-12-23/h9-16,19-21,32-33H,17-18H2,1-8H3,(H,41,43)(H,42,44)/t32-,33+/m0/s1.
What are the key properties of cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide has a molecular weight of 691.85 g/mol, XLogP of 8.56, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 178037539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).