methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate

C18H21NO2 — CID 142020368

IUPACmethyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate
SMILESC/C=C\C(=C/C)Cc1cnc2c(c1C(=O)OC)=CCCC=2
InChIInChI=1S/C18H21NO2/c1-4-8-13(5-2)11-14-12-19-16-10-7-6-9-15(16)17(14)18(20)21-3/h4-5,8-10,12H,6-7,11H2,1-3H3/b8-4-,13-5+
InChIKeyDYKFEDMBIORASU-DGOCXCROSA-N
MW283.37 g/mol
LogP2.29
Rot. Bonds4

About methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate

methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate (PubChem CID 142020368) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate
PubChem CID142020368
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate
SMILESC/C=C\C(=C/C)Cc1cnc2c(c1C(=O)OC)=CCCC=2
InChIInChI=1S/C18H21NO2/c1-4-8-13(5-2)11-14-12-19-16-10-7-6-9-15(16)17(14)18(20)21-3/h4-5,8-10,12H,6-7,11H2,1-3H3/b8-4-,13-5+
InChIKeyDYKFEDMBIORASU-DGOCXCROSA-N
XLogP2.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate?
The IUPAC name of methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate (CID 142020368) is methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate?
The canonical SMILES for methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate is C/C=C\C(=C/C)Cc1cnc2c(c1C(=O)OC)=CCCC=2.
What is the InChIKey of methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate?
The InChIKey is DYKFEDMBIORASU-DGOCXCROSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-8-13(5-2)11-14-12-19-16-10-7-6-9-15(16)17(14)18(20)21-3/h4-5,8-10,12H,6-7,11H2,1-3H3/b8-4-,13-5+.
What are the key properties of methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate?
methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(Z,2Z)-2-ethylidenepent-3-enyl]-6,7-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 142020368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).