ethyl 4-aminobenzo[h]quinoline-3-carboxylate

C16H14N2O2 — CID 730985

IUPACethyl 4-aminobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(ccc3ccccc32)c1N
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-9-18-15-11-6-4-3-5-10(11)7-8-12(15)14(13)17/h3-9H,2H2,1H3,(H2,17,18)
InChIKeyDOGQVKFHBMNJGG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds2

About ethyl 4-aminobenzo[h]quinoline-3-carboxylate

ethyl 4-aminobenzo[h]quinoline-3-carboxylate (PubChem CID 730985) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-aminobenzo[h]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-aminobenzo[h]quinoline-3-carboxylate
PubChem CID730985
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 4-aminobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(ccc3ccccc32)c1N
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-9-18-15-11-6-4-3-5-10(11)7-8-12(15)14(13)17/h3-9H,2H2,1H3,(H2,17,18)
InChIKeyDOGQVKFHBMNJGG-UHFFFAOYSA-N
XLogP3.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-aminobenzo[h]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-aminobenzo[h]quinoline-3-carboxylate (CID 730985) is ethyl 4-aminobenzo[h]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-aminobenzo[h]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-aminobenzo[h]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(ccc3ccccc32)c1N.
What is the InChIKey of ethyl 4-aminobenzo[h]quinoline-3-carboxylate?
The InChIKey is DOGQVKFHBMNJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)13-9-18-15-11-6-4-3-5-10(11)7-8-12(15)14(13)17/h3-9H,2H2,1H3,(H2,17,18).
What are the key properties of ethyl 4-aminobenzo[h]quinoline-3-carboxylate?
ethyl 4-aminobenzo[h]quinoline-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminobenzo[h]quinoline-3-carboxylate is sourced from PubChem (CID 730985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).