ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline

C17H21N — CID 143617144

IUPACethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline
SMILESC=Cc1cc2c(C)cccc2nc1C(=C)C.CC
InChIInChI=1S/C15H15N.C2H6/c1-5-12-9-13-11(4)7-6-8-14(13)16-15(12)10(2)3;1-2/h5-9H,1-2H2,3-4H3;1-2H3
InChIKeyAPTMDNLEHLOMRE-UHFFFAOYSA-N
MW239.36 g/mol
LogP5.25
Rot. Bonds2

About ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline

ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline (PubChem CID 143617144) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline.

Molecular Properties

Compound Nameethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline
PubChem CID143617144
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Nameethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline
SMILESC=Cc1cc2c(C)cccc2nc1C(=C)C.CC
InChIInChI=1S/C15H15N.C2H6/c1-5-12-9-13-11(4)7-6-8-14(13)16-15(12)10(2)3;1-2/h5-9H,1-2H2,3-4H3;1-2H3
InChIKeyAPTMDNLEHLOMRE-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline?
The IUPAC name of ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline (CID 143617144) is ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline.
What is the SMILES notation for ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline?
The canonical SMILES for ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline is C=Cc1cc2c(C)cccc2nc1C(=C)C.CC.
What is the InChIKey of ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline?
The InChIKey is APTMDNLEHLOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C2H6/c1-5-12-9-13-11(4)7-6-8-14(13)16-15(12)10(2)3;1-2/h5-9H,1-2H2,3-4H3;1-2H3.
What are the key properties of ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline?
ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline has a molecular weight of 239.36 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline is sourced from PubChem (CID 143617144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).