ethyl 3-methylbenzo[h]quinoline-2-carboxylate

C17H15NO2 — CID 914968

IUPACethyl 3-methylbenzo[h]quinoline-2-carboxylate
SMILESCCOC(=O)c1nc2c(ccc3ccccc32)cc1C
InChIInChI=1S/C17H15NO2/c1-3-20-17(19)15-11(2)10-13-9-8-12-6-4-5-7-14(12)16(13)18-15/h4-10H,3H2,1-2H3
InChIKeyPMBOESXCXJTFDT-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.87
Rot. Bonds2

About ethyl 3-methylbenzo[h]quinoline-2-carboxylate

ethyl 3-methylbenzo[h]quinoline-2-carboxylate (PubChem CID 914968) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-methylbenzo[h]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylbenzo[h]quinoline-2-carboxylate
PubChem CID914968
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameethyl 3-methylbenzo[h]quinoline-2-carboxylate
SMILESCCOC(=O)c1nc2c(ccc3ccccc32)cc1C
InChIInChI=1S/C17H15NO2/c1-3-20-17(19)15-11(2)10-13-9-8-12-6-4-5-7-14(12)16(13)18-15/h4-10H,3H2,1-2H3
InChIKeyPMBOESXCXJTFDT-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylbenzo[h]quinoline-2-carboxylate?
The IUPAC name of ethyl 3-methylbenzo[h]quinoline-2-carboxylate (CID 914968) is ethyl 3-methylbenzo[h]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-methylbenzo[h]quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-methylbenzo[h]quinoline-2-carboxylate is CCOC(=O)c1nc2c(ccc3ccccc32)cc1C.
What is the InChIKey of ethyl 3-methylbenzo[h]quinoline-2-carboxylate?
The InChIKey is PMBOESXCXJTFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-3-20-17(19)15-11(2)10-13-9-8-12-6-4-5-7-14(12)16(13)18-15/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-methylbenzo[h]quinoline-2-carboxylate?
ethyl 3-methylbenzo[h]quinoline-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylbenzo[h]quinoline-2-carboxylate is sourced from PubChem (CID 914968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).