tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate

C15H18F2N2O2 — CID 67188534

IUPACtert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CCC(=C(F)F)c2ccccc21
InChIInChI=1S/C15H18F2N2O2/c1-15(2,3)21-14(20)18-19-9-8-11(13(16)17)10-6-4-5-7-12(10)19/h4-7H,8-9H2,1-3H3,(H,18,20)
InChIKeyMQMWRPWUBHGOBG-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.94
Rot. Bonds1

About tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate

tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate (PubChem CID 67188534) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate
PubChem CID67188534
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Nametert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CCC(=C(F)F)c2ccccc21
InChIInChI=1S/C15H18F2N2O2/c1-15(2,3)21-14(20)18-19-9-8-11(13(16)17)10-6-4-5-7-12(10)19/h4-7H,8-9H2,1-3H3,(H,18,20)
InChIKeyMQMWRPWUBHGOBG-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
tert-butyl N-[2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)ethyl]carbamate
CID 84551509
tert-butyl N-[2-methyl-1-(1-oxo-3,4-dihydroisoquinolin-2-yl)propan-2-yl]carbamate
CID 46942049
tert-butyl N-[5-(isoquinoline-5-carbonyl)-6-methoxy-2,3-dihydroindol-1-yl]carbamate
CID 151987568
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-(3-hydroxy-5-oxo-2H-pyrrol-1-yl)carbamate
CID 162373517
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrazolidine-1-carboxylate
CID 18694366
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate (CID 67188534) is tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate is CC(C)(C)OC(=O)NN1CCC(=C(F)F)c2ccccc21.
What is the InChIKey of tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate?
The InChIKey is MQMWRPWUBHGOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-15(2,3)21-14(20)18-19-9-8-11(13(16)17)10-6-4-5-7-12(10)19/h4-7H,8-9H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate?
tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate has a molecular weight of 296.32 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate is sourced from PubChem (CID 67188534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).