ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one

C17H21NO — CID 143617177

IUPACethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one
SMILESC=Cc1c(C(=C)C)[nH]c2cc(C)ccc2c1=O.CC
InChIInChI=1S/C15H15NO.C2H6/c1-5-11-14(9(2)3)16-13-8-10(4)6-7-12(13)15(11)17;1-2/h5-8H,1-2H2,3-4H3,(H,16,17);1-2H3
InChIKeyYXUSUDBSPBXFQY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.54
Rot. Bonds2

About ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one

ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one (PubChem CID 143617177) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Nameethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one
PubChem CID143617177
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Nameethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one
SMILESC=Cc1c(C(=C)C)[nH]c2cc(C)ccc2c1=O.CC
InChIInChI=1S/C15H15NO.C2H6/c1-5-11-14(9(2)3)16-13-8-10(4)6-7-12(13)15(11)17;1-2/h5-8H,1-2H2,3-4H3,(H,16,17);1-2H3
InChIKeyYXUSUDBSPBXFQY-UHFFFAOYSA-N
XLogP4.54
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one?
The IUPAC name of ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one (CID 143617177) is ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one.
What is the SMILES notation for ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one?
The canonical SMILES for ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one is C=Cc1c(C(=C)C)[nH]c2cc(C)ccc2c1=O.CC.
What is the InChIKey of ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one?
The InChIKey is YXUSUDBSPBXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C2H6/c1-5-11-14(9(2)3)16-13-8-10(4)6-7-12(13)15(11)17;1-2/h5-8H,1-2H2,3-4H3,(H,16,17);1-2H3.
What are the key properties of ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one?
ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one has a molecular weight of 255.36 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-7-methyl-2-prop-1-en-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 143617177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).