tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate

C15H22N2O2 — CID 79122225

IUPACtert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCNC1CCN(C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-12(16-4)11-7-5-6-8-13(11)17/h5-8,12,16H,9-10H2,1-4H3
InChIKeyMYXFSPQLWCWBTB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 79122225) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID79122225
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCNC1CCN(C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-12(16-4)11-7-5-6-8-13(11)17/h5-8,12,16H,9-10H2,1-4H3
InChIKeyMYXFSPQLWCWBTB-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl (4S)-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 163342101
tert-butyl 5-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 90893433
[4-(methylamino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 79157886
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
1-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-propoxyethanone
CID 107937221
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
tert-butyl (3S)-3-(3-methoxy-3-oxopropyl)-2,3-dihydroindole-1-carboxylate
CID 102513493
tert-butyl 3-(2-methoxyprop-2-enyl)-2,3-dihydroindole-1-carboxylate
CID 89073245
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86337029

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 79122225) is tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate is CNC1CCN(C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is MYXFSPQLWCWBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-12(16-4)11-7-5-6-8-13(11)17/h5-8,12,16H,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 79122225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).