ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline

C17H27N — CID 143087120

IUPACethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline
SMILESC=CC1=C(CC)Cc2ccccc2N1.CC.CC
InChIInChI=1S/C13H15N.2C2H6/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2;2*1-2/h4-8,14H,2-3,9H2,1H3;2*1-2H3
InChIKeyADPDWLWCDGRBPW-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.56
Rot. Bonds2

About ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline

ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline (PubChem CID 143087120) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline.

Molecular Properties

Compound Nameethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline
PubChem CID143087120
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Nameethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline
SMILESC=CC1=C(CC)Cc2ccccc2N1.CC.CC
InChIInChI=1S/C13H15N.2C2H6/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2;2*1-2/h4-8,14H,2-3,9H2,1H3;2*1-2H3
InChIKeyADPDWLWCDGRBPW-UHFFFAOYSA-N
XLogP5.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline?
The IUPAC name of ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline (CID 143087120) is ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline.
What is the SMILES notation for ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline?
The canonical SMILES for ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline is C=CC1=C(CC)Cc2ccccc2N1.CC.CC.
What is the InChIKey of ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline?
The InChIKey is ADPDWLWCDGRBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.2C2H6/c1-3-10-9-11-7-5-6-8-13(11)14-12(10)4-2;2*1-2/h4-8,14H,2-3,9H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline?
ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline has a molecular weight of 245.41 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline is sourced from PubChem (CID 143087120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).