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

C14H20N2O2 — CID 18337536

IUPACtert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-8-11(15)10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3
InChIKeySBMGKXNAGCGTTA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.83
Rot. Bonds

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

tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 18337536) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID18337536
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)c2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-8-11(15)10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3
InChIKeySBMGKXNAGCGTTA-UHFFFAOYSA-N
XLogP2.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
tert-butyl 5-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 90893433
tert-butyl (4S)-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 163342101
tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57366387
tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124746326
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
tert-butyl (3R)-3-(3-hydroxypropyl)-2,3-dihydroindole-1-carboxylate
CID 155903983

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate (CID 18337536) is tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)c2ccccc21.
What is the InChIKey of tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is SBMGKXNAGCGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-8-11(15)10-6-4-5-7-12(10)16/h4-7,11H,8-9,15H2,1-3H3.
What are the key properties of tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 18337536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).