tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C15H22N2O2 — CID 155571856

IUPACtert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2N
InChIInChI=1S/C15H22N2O2/c1-10-5-6-11-12(16)7-8-17(13(11)9-10)14(18)19-15(2,3)4/h5-6,9,12H,7-8,16H2,1-4H3
InChIKeyAEOLKFKZINHZQV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.14
Rot. Bonds

About tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 155571856) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID155571856
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2N
InChIInChI=1S/C15H22N2O2/c1-10-5-6-11-12(16)7-8-17(13(11)9-10)14(18)19-15(2,3)4/h5-6,9,12H,7-8,16H2,1-4H3
InChIKeyAEOLKFKZINHZQV-UHFFFAOYSA-N
XLogP3.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-amino-7-methyl-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 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57366387
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83838643
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
7-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83763781
tert-butyl 9-amino-2,2-difluoro-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h][1]benzazepine-5-carboxylate
CID 68679505
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (4R)-4-amino-6-(2-azaspiro[5.5]undecan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 134338862

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 155571856) is tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2N.
What is the InChIKey of tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is AEOLKFKZINHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-6-11-12(16)7-8-17(13(11)9-10)14(18)19-15(2,3)4/h5-6,9,12H,7-8,16H2,1-4H3.
What are the key properties of tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.14, 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-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 155571856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).