phenyl 2,6-dimethylquinoline-4-carboxylate

C18H15NO2 — CID 18076219

IUPACphenyl 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C18H15NO2/c1-12-8-9-17-15(10-12)16(11-13(2)19-17)18(20)21-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyNHMSIDSWIMIXNK-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.07
Rot. Bonds2

About phenyl 2,6-dimethylquinoline-4-carboxylate

phenyl 2,6-dimethylquinoline-4-carboxylate (PubChem CID 18076219) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is phenyl 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Namephenyl 2,6-dimethylquinoline-4-carboxylate
PubChem CID18076219
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Namephenyl 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C18H15NO2/c1-12-8-9-17-15(10-12)16(11-13(2)19-17)18(20)21-14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyNHMSIDSWIMIXNK-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-cyanophenyl) 2-methylquinoline-4-carboxylate
CID 18080090
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
[1-(tert-butylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 18091676
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101
phenyl 2-tert-butyl-4-methylbenzoate
CID 141190879
phenyl 2-acetyloxy-5-methylbenzoate
CID 139745245
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
2-O-(3,5-dimethylphenyl) 1-O-phenyl benzene-1,2-dicarboxylate
CID 6425517

Frequently Asked Questions

What is the IUPAC name of phenyl 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of phenyl 2,6-dimethylquinoline-4-carboxylate (CID 18076219) is phenyl 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for phenyl 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for phenyl 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)Oc3ccccc3)c2c1.
What is the InChIKey of phenyl 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is NHMSIDSWIMIXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-8-9-17-15(10-12)16(11-13(2)19-17)18(20)21-14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of phenyl 2,6-dimethylquinoline-4-carboxylate?
phenyl 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 18076219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).