methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate

C19H17F2NO2 — CID 71742422

IUPACmethyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(CC1)CC(c1ccc(F)cc1F)N2
InChIInChI=1S/C19H17F2NO2/c1-24-18(23)11-2-5-16-14(8-11)19(6-7-19)10-17(22-16)13-4-3-12(20)9-15(13)21/h2-5,8-9,17,22H,6-7,10H2,1H3
InChIKeyPYFLOQVFSABRFF-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.34
Rot. Bonds2

About methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate

methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate (PubChem CID 71742422) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate
PubChem CID71742422
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Namemethyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(CC1)CC(c1ccc(F)cc1F)N2
InChIInChI=1S/C19H17F2NO2/c1-24-18(23)11-2-5-16-14(8-11)19(6-7-19)10-17(22-16)13-4-3-12(20)9-15(13)21/h2-5,8-9,17,22H,6-7,10H2,1H3
InChIKeyPYFLOQVFSABRFF-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate with MolForge

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Related Compounds

[2-(2-bromo-5-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 56592145
methyl 2-(5-bromo-2-methylphenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylate
CID 70496690
methyl 2-(5-bromo-2-chlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylate
CID 70495304
methyl (1R,9R)-10-(2,4-difluorophenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7386394
methyl (1R,9S)-10-(2,4-difluorophenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 98168245
methyl 4-[1-(aminomethyl)cyclopropyl]-3-fluorobenzoate
CID 117319477
methyl 6-(2,4-difluorophenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxylate
CID 163262627
CID 170307924
CID 170307924
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
methyl 2-[(2S)-azetidin-2-yl]-5-fluorobenzoate
CID 131550925
2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylic acid
CID 66587554
methyl 10-(3-fluorophenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 18579314

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate?
The IUPAC name of methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate (CID 71742422) is methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate.
What is the SMILES notation for methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate?
The canonical SMILES for methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate is COC(=O)c1ccc2c(c1)C1(CC1)CC(c1ccc(F)cc1F)N2.
What is the InChIKey of methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate?
The InChIKey is PYFLOQVFSABRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-24-18(23)11-2-5-16-14(8-11)19(6-7-19)10-17(22-16)13-4-3-12(20)9-15(13)21/h2-5,8-9,17,22H,6-7,10H2,1H3.
What are the key properties of methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate?
methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylate is sourced from PubChem (CID 71742422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).