ethyl 8-methyl-2-phenylquinoline-6-carboxylate

C19H17NO2 — CID 164676553

IUPACethyl 8-methyl-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(C)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C19H17NO2/c1-3-22-19(21)16-11-13(2)18-15(12-16)9-10-17(20-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyWJPGZTXJEQJJNX-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.39
Rot. Bonds3

About ethyl 8-methyl-2-phenylquinoline-6-carboxylate

ethyl 8-methyl-2-phenylquinoline-6-carboxylate (PubChem CID 164676553) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 8-methyl-2-phenylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-2-phenylquinoline-6-carboxylate
PubChem CID164676553
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Nameethyl 8-methyl-2-phenylquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(C)c2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C19H17NO2/c1-3-22-19(21)16-11-13(2)18-15(12-16)9-10-17(20-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyWJPGZTXJEQJJNX-UHFFFAOYSA-N
XLogP4.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
CID 134840915
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 6,8-dimethylquinoline-2-carboxylate
CID 102310352
CID 158970570
CID 158970570
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-2-phenylquinoline-6-carboxylate?
The IUPAC name of ethyl 8-methyl-2-phenylquinoline-6-carboxylate (CID 164676553) is ethyl 8-methyl-2-phenylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 8-methyl-2-phenylquinoline-6-carboxylate?
The canonical SMILES for ethyl 8-methyl-2-phenylquinoline-6-carboxylate is CCOC(=O)c1cc(C)c2nc(-c3ccccc3)ccc2c1.
What is the InChIKey of ethyl 8-methyl-2-phenylquinoline-6-carboxylate?
The InChIKey is WJPGZTXJEQJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-22-19(21)16-11-13(2)18-15(12-16)9-10-17(20-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 8-methyl-2-phenylquinoline-6-carboxylate?
ethyl 8-methyl-2-phenylquinoline-6-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-2-phenylquinoline-6-carboxylate is sourced from PubChem (CID 164676553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).