ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate

C19H26FNO2 — CID 101138357

IUPACethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate
SMILESCCOC(=O)CN1c2ccc(F)cc2C(C)CC12CCCCC2
InChIInChI=1S/C19H26FNO2/c1-3-23-18(22)13-21-17-8-7-15(20)11-16(17)14(2)12-19(21)9-5-4-6-10-19/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
InChIKeySBXNLPCIEKMMLL-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.41
Rot. Bonds3

About ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate

ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate (PubChem CID 101138357) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate
PubChem CID101138357
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Nameethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate
SMILESCCOC(=O)CN1c2ccc(F)cc2C(C)CC12CCCCC2
InChIInChI=1S/C19H26FNO2/c1-3-23-18(22)13-21-17-8-7-15(20)11-16(17)14(2)12-19(21)9-5-4-6-10-19/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3
InChIKeySBXNLPCIEKMMLL-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate with MolForge

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Related Compounds

cis-(1S,2R)-2-[(4R)-6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclopentane]-1-carbonyl]cyclohexane-1-carboxylic acid
CID 2016529
2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone
CID 10688494
1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 91670616
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716098
2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
CID 133219815
ethyl 2-cyclopropyl-4-fluorobenzoate
CID 150607366
ethyl 2-[(5-fluoro-2-oxo-1-propyl-3H-indol-3-yl)sulfanyl]acetate
CID 102284779
ethyl 2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-oxoacetate
CID 117416816
ethyl 4-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-3-oxobutanoate
CID 63899076
cis-ethyl (1R,3R)-1-(4-fluorophenyl)-3-methylcyclohexane-1-carboxylate
CID 134964324
ethyl 2-(7-fluoro-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 23293598
1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one
CID 135062760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate?
The IUPAC name of ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate (CID 101138357) is ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate is CCOC(=O)CN1c2ccc(F)cc2C(C)CC12CCCCC2.
What is the InChIKey of ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate?
The InChIKey is SBXNLPCIEKMMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-3-23-18(22)13-21-17-8-7-15(20)11-16(17)14(2)12-19(21)9-5-4-6-10-19/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate?
ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate has a molecular weight of 319.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-4-methylspiro[3,4-dihydroquinoline-2,1'-cyclohexane]-1-yl)acetate is sourced from PubChem (CID 101138357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).