tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate

C14H18FNO2 — CID 14175818

IUPACtert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3
InChIKeyPJQAIRWPBWDUHD-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.51
Rot. Bonds

About tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 14175818) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID14175818
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3
InChIKeyPJQAIRWPBWDUHD-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103747948
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]acetic acid
CID 167723595
tert-butyl 6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117470874
tert-butyl 6-(4-oxobutan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117488524
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
tert-butyl 6-(azetidin-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107242293
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate (CID 14175818) is tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2cc(F)ccc21.
What is the InChIKey of tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is PJQAIRWPBWDUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 14175818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).