(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide

C19H17N3O2 — CID 91742440

IUPAC(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide
SMILESCOc1nc2c(c(C#N)c1C(N)=O)CCC/C2=C\c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-24-19-16(18(21)23)15(11-20)14-9-5-8-13(17(14)22-19)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,21,23)/b13-10+
InChIKeyMWABLTGGSGBKAX-JLHYYAGUSA-N
MW319.36 g/mol
LogP2.94
Rot. Bonds3

About (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide

(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide (PubChem CID 91742440) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide
PubChem CID91742440
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide
SMILESCOc1nc2c(c(C#N)c1C(N)=O)CCC/C2=C\c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-24-19-16(18(21)23)15(11-20)14-9-5-8-13(17(14)22-19)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,21,23)/b13-10+
InChIKeyMWABLTGGSGBKAX-JLHYYAGUSA-N
XLogP2.94
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide?
The IUPAC name of (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide (CID 91742440) is (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide.
What is the SMILES notation for (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide?
The canonical SMILES for (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide is COc1nc2c(c(C#N)c1C(N)=O)CCC/C2=C\c1ccccc1.
What is the InChIKey of (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide?
The InChIKey is MWABLTGGSGBKAX-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-19-16(18(21)23)15(11-20)14-9-5-8-13(17(14)22-19)10-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H2,21,23)/b13-10+.
What are the key properties of (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide?
(8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-benzylidene-4-cyano-2-methoxy-6,7-dihydro-5H-quinoline-3-carboxamide is sourced from PubChem (CID 91742440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).