methyl benzo[f]quinoline-7-carboxylate

C15H11NO2 — CID 141374435

IUPACmethyl benzo[f]quinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c1ccc1ncccc12
InChIInChI=1S/C15H11NO2/c1-18-15(17)13-5-2-4-10-11(13)7-8-14-12(10)6-3-9-16-14/h2-9H,1H3
InChIKeyUIIUBVHMRCDPQH-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.17
Rot. Bonds1

About methyl benzo[f]quinoline-7-carboxylate

methyl benzo[f]quinoline-7-carboxylate (PubChem CID 141374435) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl benzo[f]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl benzo[f]quinoline-7-carboxylate
PubChem CID141374435
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Namemethyl benzo[f]quinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c1ccc1ncccc12
InChIInChI=1S/C15H11NO2/c1-18-15(17)13-5-2-4-10-11(13)7-8-14-12(10)6-3-9-16-14/h2-9H,1H3
InChIKeyUIIUBVHMRCDPQH-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.17
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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Related Compounds

methyl 5-fluoroquinoline-6-carboxylate
CID 118665149
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl cinnoline-5-carboxylate
CID 133080936
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110

Frequently Asked Questions

What is the IUPAC name of methyl benzo[f]quinoline-7-carboxylate?
The IUPAC name of methyl benzo[f]quinoline-7-carboxylate (CID 141374435) is methyl benzo[f]quinoline-7-carboxylate.
What is the SMILES notation for methyl benzo[f]quinoline-7-carboxylate?
The canonical SMILES for methyl benzo[f]quinoline-7-carboxylate is COC(=O)c1cccc2c1ccc1ncccc12.
What is the InChIKey of methyl benzo[f]quinoline-7-carboxylate?
The InChIKey is UIIUBVHMRCDPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-18-15(17)13-5-2-4-10-11(13)7-8-14-12(10)6-3-9-16-14/h2-9H,1H3.
What are the key properties of methyl benzo[f]quinoline-7-carboxylate?
methyl benzo[f]quinoline-7-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl benzo[f]quinoline-7-carboxylate is sourced from PubChem (CID 141374435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).