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

C15H21NO2 — CID 72710357

IUPACtert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C15H21NO2/c1-11-7-8-12-6-5-9-16(13(12)10-11)14(17)18-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyVRXCLAYSDBRZAO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.68
Rot. Bonds

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

tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 72710357) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID72710357
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nametert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C15H21NO2/c1-11-7-8-12-6-5-9-16(13(12)10-11)14(17)18-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyVRXCLAYSDBRZAO-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 72710357) is tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is VRXCLAYSDBRZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-8-12-6-5-9-16(13(12)10-11)14(17)18-15(2,3)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 72710357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).