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

C16H12ClNO2 — CID 625232

IUPACethyl 4-chlorobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(ccc3ccccc32)c1Cl
InChIInChI=1S/C16H12ClNO2/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
InChIKeyOUVDIUPLVZVEEN-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.22
Rot. Bonds2

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

ethyl 4-chlorobenzo[h]quinoline-3-carboxylate (PubChem CID 625232) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is ethyl 4-chlorobenzo[h]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chlorobenzo[h]quinoline-3-carboxylate
PubChem CID625232
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Nameethyl 4-chlorobenzo[h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(ccc3ccccc32)c1Cl
InChIInChI=1S/C16H12ClNO2/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
InChIKeyOUVDIUPLVZVEEN-UHFFFAOYSA-N
XLogP4.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.22
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 4-chlorobenzo[h]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-chlorobenzo[h]quinoline-3-carboxylate (CID 625232) is ethyl 4-chlorobenzo[h]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chlorobenzo[h]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chlorobenzo[h]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(ccc3ccccc32)c1Cl.
What is the InChIKey of ethyl 4-chlorobenzo[h]quinoline-3-carboxylate?
The InChIKey is OUVDIUPLVZVEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/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.
What are the key properties of ethyl 4-chlorobenzo[h]quinoline-3-carboxylate?
ethyl 4-chlorobenzo[h]quinoline-3-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chlorobenzo[h]quinoline-3-carboxylate is sourced from PubChem (CID 625232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).