tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate

C17H24F2N2O2 — CID 107248618

IUPACtert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2)C(F)F
InChIInChI=1S/C17H24F2N2O2/c1-11(15(18)19)20-13-8-7-12-6-5-9-21(14(12)10-13)16(22)23-17(2,3)4/h7-8,10-11,15,20H,5-6,9H2,1-4H3
InChIKeyUJWGRBLODBUEEW-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.44
Rot. Bonds3

About tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 107248618) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID107248618
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2)C(F)F
InChIInChI=1S/C17H24F2N2O2/c1-11(15(18)19)20-13-8-7-12-6-5-9-21(14(12)10-13)16(22)23-17(2,3)4/h7-8,10-11,15,20H,5-6,9H2,1-4H3
InChIKeyUJWGRBLODBUEEW-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103747948
tert-butyl 7-(methylsulfanylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143416963
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
tert-butyl 5-(3-methoxybutan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 103932189
tert-butyl 7-[[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86934733
tert-butyl 6-acetamido-7-(difluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 162753621
tert-butyl 7-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 113242515
tert-butyl 7-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131556812
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
CID 113354038
tert-butyl 7-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 71972891

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 107248618) is tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2)C(F)F.
What is the InChIKey of tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is UJWGRBLODBUEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-11(15(18)19)20-13-8-7-12-6-5-9-21(14(12)10-13)16(22)23-17(2,3)4/h7-8,10-11,15,20H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 107248618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).