tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate

C14H20N2O2 — CID 150205749

IUPACtert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1CCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)15-16-10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10H2,1-3H3,(H,15,17)
InChIKeyFQLJEARHJJOHBT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate

tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate (PubChem CID 150205749) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
PubChem CID150205749
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1CCCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)15-16-10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10H2,1-3H3,(H,15,17)
InChIKeyFQLJEARHJJOHBT-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-ylurea
CID 19747645
3,4-dihydro-2H-quinolin-1-ylcarbamic acid
CID 67189387
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
tert-butyl N-[4-(difluoromethylidene)-2,3-dihydroquinolin-1-yl]carbamate
CID 67188534
tert-butyl N-[2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)ethyl]carbamate
CID 84551509
N-(3,4-dihydro-2H-quinolin-1-yl)cyclohexanecarboxamide
CID 5028392
tert-butyl N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553563
tert-butyl N-amino-N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 174736347
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
2,3-dihydroindol-1-ylurea
CID 22353227
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pentanoate
CID 156857843
tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate
CID 141205583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
The IUPAC name of tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate (CID 150205749) is tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate is CC(C)(C)OC(=O)NN1CCCc2ccccc21.
What is the InChIKey of tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
The InChIKey is FQLJEARHJJOHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)15-16-10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate?
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate is sourced from PubChem (CID 150205749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).