methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate

C14H19NO2 — CID 127243793

IUPACmethyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1NC(C)(C)CC2C
InChIInChI=1S/C14H19NO2/c1-9-8-14(2,3)15-12-10(9)6-5-7-11(12)13(16)17-4/h5-7,9,15H,8H2,1-4H3
InChIKeyRGRKMDHVYJTEQO-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.17
Rot. Bonds1

About methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate

methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate (PubChem CID 127243793) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate
PubChem CID127243793
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate
SMILESCOC(=O)c1cccc2c1NC(C)(C)CC2C
InChIInChI=1S/C14H19NO2/c1-9-8-14(2,3)15-12-10(9)6-5-7-11(12)13(16)17-4/h5-7,9,15H,8H2,1-4H3
InChIKeyRGRKMDHVYJTEQO-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate?
The IUPAC name of methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate (CID 127243793) is methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate.
What is the SMILES notation for methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate?
The canonical SMILES for methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate is COC(=O)c1cccc2c1NC(C)(C)CC2C.
What is the InChIKey of methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate?
The InChIKey is RGRKMDHVYJTEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-8-14(2,3)15-12-10(9)6-5-7-11(12)13(16)17-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate?
methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4-trimethyl-3,4-dihydro-1H-quinoline-8-carboxylate is sourced from PubChem (CID 127243793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).