ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate

C15H20N2O2 — CID 21432732

IUPACethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate
SMILESCCCCc1ccc2c(c1)CC(C(=O)OCC)=NN2
InChIInChI=1S/C15H20N2O2/c1-3-5-6-11-7-8-13-12(9-11)10-14(17-16-13)15(18)19-4-2/h7-9,16H,3-6,10H2,1-2H3
InChIKeyDCUVBDYWMKMREV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.92
Rot. Bonds5

About ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate

ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate (PubChem CID 21432732) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate
PubChem CID21432732
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate
SMILESCCCCc1ccc2c(c1)CC(C(=O)OCC)=NN2
InChIInChI=1S/C15H20N2O2/c1-3-5-6-11-7-8-13-12(9-11)10-14(17-16-13)15(18)19-4-2/h7-9,16H,3-6,10H2,1-2H3
InChIKeyDCUVBDYWMKMREV-UHFFFAOYSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate?
The IUPAC name of ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate (CID 21432732) is ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate.
What is the SMILES notation for ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate?
The canonical SMILES for ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate is CCCCc1ccc2c(c1)CC(C(=O)OCC)=NN2.
What is the InChIKey of ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate?
The InChIKey is DCUVBDYWMKMREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-6-11-7-8-13-12(9-11)10-14(17-16-13)15(18)19-4-2/h7-9,16H,3-6,10H2,1-2H3.
What are the key properties of ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate?
ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-butyl-1,4-dihydrocinnoline-3-carboxylate is sourced from PubChem (CID 21432732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).