propyl cinnoline-3-carboxylate

C12H12N2O2 — CID 142670982

IUPACpropyl cinnoline-3-carboxylate
SMILESCCCOC(=O)c1cc2ccccc2nn1
InChIInChI=1S/C12H12N2O2/c1-2-7-16-12(15)11-8-9-5-3-4-6-10(9)13-14-11/h3-6,8H,2,7H2,1H3
InChIKeyHJMHYVFWTBDSOZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.20
Rot. Bonds3

About propyl cinnoline-3-carboxylate

propyl cinnoline-3-carboxylate (PubChem CID 142670982) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is propyl cinnoline-3-carboxylate.

Molecular Properties

Compound Namepropyl cinnoline-3-carboxylate
PubChem CID142670982
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namepropyl cinnoline-3-carboxylate
SMILESCCCOC(=O)c1cc2ccccc2nn1
InChIInChI=1S/C12H12N2O2/c1-2-7-16-12(15)11-8-9-5-3-4-6-10(9)13-14-11/h3-6,8H,2,7H2,1H3
InChIKeyHJMHYVFWTBDSOZ-UHFFFAOYSA-N
XLogP2.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl isoquinoline-3-carboxylate
CID 162715167
propyl 2-aminoquinoline-3-carboxylate
CID 10775804
cinnoline-3-carboxylic acid;ethane
CID 90831322
2-propoxyethyl 1-chloroisoquinoline-3-carboxylate
CID 63840321
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
butyl quinoline-3-carboxylate
CID 54753708
ethyl 2-cinnolin-3-ylacetate
CID 150533502
N-methyl-N-phenylcinnoline-3-carboxamide
CID 110705116
N-(2-acetamidoethyl)cinnoline-3-carboxamide
CID 110705098
ethyl 6-(4-chlorophenyl)cinnoline-3-carboxylate
CID 21432743
2-propoxyethyl anthracene-9-carboxylate
CID 86199632
6-ethylcinnoline-3-carboxamide
CID 21432748

Frequently Asked Questions

What is the IUPAC name of propyl cinnoline-3-carboxylate?
The IUPAC name of propyl cinnoline-3-carboxylate (CID 142670982) is propyl cinnoline-3-carboxylate.
What is the SMILES notation for propyl cinnoline-3-carboxylate?
The canonical SMILES for propyl cinnoline-3-carboxylate is CCCOC(=O)c1cc2ccccc2nn1.
What is the InChIKey of propyl cinnoline-3-carboxylate?
The InChIKey is HJMHYVFWTBDSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-7-16-12(15)11-8-9-5-3-4-6-10(9)13-14-11/h3-6,8H,2,7H2,1H3.
What are the key properties of propyl cinnoline-3-carboxylate?
propyl cinnoline-3-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl cinnoline-3-carboxylate is sourced from PubChem (CID 142670982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).