tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate

C17H26N2O2 — CID 124746326

IUPACtert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCC[C@@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-5-8-12-11-14(18)13-9-6-7-10-15(13)19(12)16(20)21-17(2,3)4/h6-7,9-10,12,14H,5,8,11,18H2,1-4H3/t12-,14+/m1/s1
InChIKeyLBCDYEYYVRLZEA-OCCSQVGLSA-N
MW290.41 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 124746326) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID124746326
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCC[C@@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-5-8-12-11-14(18)13-9-6-7-10-15(13)19(12)16(20)21-17(2,3)4/h6-7,9-10,12,14H,5,8,11,18H2,1-4H3/t12-,14+/m1/s1
InChIKeyLBCDYEYYVRLZEA-OCCSQVGLSA-N
XLogP4.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl 1-amino-1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
CID 130870365
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
tert-butyl 3-hexyl-2,3-dihydroindole-1-carboxylate
CID 171661748
tert-butyl 3-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 11324696
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl (3R)-3-(3-hydroxypropyl)-2,3-dihydroindole-1-carboxylate
CID 155903983
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl (2R,3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-phenyl-2,3-dihydroindole-1-carboxylate
CID 134960195
tert-butyl (6aR,11aS)-6a,11a-dihydrobenzo[a]carbazole-11-carboxylate
CID 102343189
tert-butyl 9-nitroso-9H-acridine-10-carboxylate
CID 102127033

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 124746326) is tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate is CCC[C@@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is LBCDYEYYVRLZEA-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-8-12-11-14(18)13-9-6-7-10-15(13)19(12)16(20)21-17(2,3)4/h6-7,9-10,12,14H,5,8,11,18H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-amino-2-propyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 124746326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).