cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate

C30H34FNO3 — CID 145377850

IUPACcyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate
SMILESC1CC1.COC(=O)C(C)Cc1ccc2c(c1)NC(c1ccc(-c3cc(OC)ccc3F)cc1)CC2
InChIInChI=1S/C27H28FNO3.C3H6/c1-17(27(30)32-3)14-18-4-5-21-10-13-25(29-26(21)15-18)20-8-6-19(7-9-20)23-16-22(31-2)11-12-24(23)28;1-2-3-1/h4-9,11-12,15-17,25,29H,10,13-14H2,1-3H3;1-3H2
InChIKeySYBYICUZFFUYKC-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.12
Rot. Bonds6

About cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate

cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate (PubChem CID 145377850) has the molecular formula C30H34FNO3 and a molecular weight of 475.60 g/mol. Its IUPAC name is cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate.

Molecular Properties

Compound Namecyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate
PubChem CID145377850
Molecular FormulaC30H34FNO3
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC Namecyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate
SMILESC1CC1.COC(=O)C(C)Cc1ccc2c(c1)NC(c1ccc(-c3cc(OC)ccc3F)cc1)CC2
InChIInChI=1S/C27H28FNO3.C3H6/c1-17(27(30)32-3)14-18-4-5-21-10-13-25(29-26(21)15-18)20-8-6-19(7-9-20)23-16-22(31-2)11-12-24(23)28;1-2-3-1/h4-9,11-12,15-17,25,29H,10,13-14H2,1-3H3;1-3H2
InChIKeySYBYICUZFFUYKC-UHFFFAOYSA-N
XLogP7.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate with MolForge

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Related Compounds

(2S,3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate
CID 155818457
3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-2-methylpropanoic acid
CID 131974909
cyclopropane;3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-2-sulfanylpropanoic acid
CID 145377842
cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
CID 145377876
cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate
CID 144688901
methyl 2-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]butanoate
CID 141408566
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]-2-methylpropanoic acid
CID 123899402
ethane;methyl (2S)-3-[3-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-methylpropanoate
CID 144688834
cyclopropane;methyl 3-[3-[6-(2-fluoro-5-methoxyphenyl)-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-methylpropanoate
CID 144688778
methyl (2S)-3-cyclopropyl-3-[3-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]-2-methylpropanoate
CID 146612331

Frequently Asked Questions

What is the IUPAC name of cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate?
The IUPAC name of cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate (CID 145377850) is cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate.
What is the SMILES notation for cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate?
The canonical SMILES for cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate is C1CC1.COC(=O)C(C)Cc1ccc2c(c1)NC(c1ccc(-c3cc(OC)ccc3F)cc1)CC2.
What is the InChIKey of cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate?
The InChIKey is SYBYICUZFFUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3.C3H6/c1-17(27(30)32-3)14-18-4-5-21-10-13-25(29-26(21)15-18)20-8-6-19(7-9-20)23-16-22(31-2)11-12-24(23)28;1-2-3-1/h4-9,11-12,15-17,25,29H,10,13-14H2,1-3H3;1-3H2.
What are the key properties of cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate?
cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate has a molecular weight of 475.60 g/mol, XLogP of 7.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate is sourced from PubChem (CID 145377850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).