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

C15H21NO3 — CID 59556816

IUPACtert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-5-6-11-7-8-12(18-4)10-13(11)16/h7-8,10H,5-6,9H2,1-4H3
InChIKeyRPDWRWNLPKMAFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.38
Rot. Bonds1

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

tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 59556816) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID59556816
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-5-6-11-7-8-12(18-4)10-13(11)16/h7-8,10H,5-6,9H2,1-4H3
InChIKeyRPDWRWNLPKMAFW-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 7-methoxy-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 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 7-(methylsulfanylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143416963
tert-butyl 7-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131556812
tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate
CID 90299291
1-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)prop-2-en-1-one
CID 139020307
tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107248618
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]acetic acid
CID 167723595
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate (CID 59556816) is tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is COc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is RPDWRWNLPKMAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-5-6-11-7-8-12(18-4)10-13(11)16/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 59556816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).