methyl 2-tert-butylquinoline-6-carboxylate

C15H17NO2 — CID 57458162

IUPACmethyl 2-tert-butylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H17NO2/c1-15(2,3)13-8-6-10-9-11(14(17)18-4)5-7-12(10)16-13/h5-9H,1-4H3
InChIKeyCUYJTKXKTLOVCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds1

About methyl 2-tert-butylquinoline-6-carboxylate

methyl 2-tert-butylquinoline-6-carboxylate (PubChem CID 57458162) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-tert-butylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butylquinoline-6-carboxylate
PubChem CID57458162
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-tert-butylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H17NO2/c1-15(2,3)13-8-6-10-9-11(14(17)18-4)5-7-12(10)16-13/h5-9H,1-4H3
InChIKeyCUYJTKXKTLOVCD-UHFFFAOYSA-N
XLogP3.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-tert-butylquinoline-6-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

methyl 3,4-ditert-butylbenzoate
CID 14173309
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 3-tert-butyl-2H-indazole-5-carboxylate
CID 59436662
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl phenazine-2-carboxylate
CID 617185
ethane;3-methoxycarbonylbenzoic acid;7-methoxycarbonylnaphthalene-2-carboxylic acid
CID 144908401
CID 70265363
CID 70265363
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-[(1S,5R)-3-oxa-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxylate
CID 170940616
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 2-tert-butyl-6-(4-methylphenyl)sulfonyloxypyridine-4-carboxylate
CID 135067691
methyl 2-aminoquinoline-7-carboxylate
CID 118266696

Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butylquinoline-6-carboxylate?
The IUPAC name of methyl 2-tert-butylquinoline-6-carboxylate (CID 57458162) is methyl 2-tert-butylquinoline-6-carboxylate.
What is the SMILES notation for methyl 2-tert-butylquinoline-6-carboxylate?
The canonical SMILES for methyl 2-tert-butylquinoline-6-carboxylate is COC(=O)c1ccc2nc(C(C)(C)C)ccc2c1.
What is the InChIKey of methyl 2-tert-butylquinoline-6-carboxylate?
The InChIKey is CUYJTKXKTLOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2,3)13-8-6-10-9-11(14(17)18-4)5-7-12(10)16-13/h5-9H,1-4H3.
What are the key properties of methyl 2-tert-butylquinoline-6-carboxylate?
methyl 2-tert-butylquinoline-6-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butylquinoline-6-carboxylate is sourced from PubChem (CID 57458162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).