cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

C17H23NO2 — CID 63541879

IUPACcycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESO=C(OC1CCCCCC1)c1cccc2c1CCCN2
InChIInChI=1S/C17H23NO2/c19-17(20-13-7-3-1-2-4-8-13)15-9-5-11-16-14(15)10-6-12-18-16/h5,9,11,13,18H,1-4,6-8,10,12H2
InChIKeyOPAXUBJBMPFDIW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.92
Rot. Bonds2

About cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate

cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate (PubChem CID 63541879) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate.

Molecular Properties

Compound Namecycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
PubChem CID63541879
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namecycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
SMILESO=C(OC1CCCCCC1)c1cccc2c1CCCN2
InChIInChI=1S/C17H23NO2/c19-17(20-13-7-3-1-2-4-8-13)15-9-5-11-16-14(15)10-6-12-18-16/h5,9,11,13,18H,1-4,6-8,10,12H2
InChIKeyOPAXUBJBMPFDIW-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864
oxan-4-ylmethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 62383095
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
oxolan-3-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610355
1-ethoxypropan-2-yl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 103489104
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 106448138
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
cyclohexyl 2-aminobenzoate
CID 24510
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
cyclohexyl 2-(methylamino)benzoate
CID 61278808

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The IUPAC name of cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate (CID 63541879) is cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate.
What is the SMILES notation for cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The canonical SMILES for cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate is O=C(OC1CCCCCC1)c1cccc2c1CCCN2.
What is the InChIKey of cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
The InChIKey is OPAXUBJBMPFDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20-13-7-3-1-2-4-8-13)15-9-5-11-16-14(15)10-6-12-18-16/h5,9,11,13,18H,1-4,6-8,10,12H2.
What are the key properties of cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate?
cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 1,2,3,4-tetrahydroquinoline-5-carboxylate is sourced from PubChem (CID 63541879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).