2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane

C22H31NO — CID 143768937

IUPAC2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane
SMILESC=Cc1c(C=C)n(CC=C(C)C)c2ccccc2c1=O.CC.CC
InChIInChI=1S/C18H19NO.2C2H6/c1-5-14-16(6-2)19(12-11-13(3)4)17-10-8-7-9-15(17)18(14)20;2*1-2/h5-11H,1-2,12H2,3-4H3;2*1-2H3
InChIKeyKVLORNVIVYWHET-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.31
Rot. Bonds4

About 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane

2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane (PubChem CID 143768937) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane
PubChem CID143768937
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane
SMILESC=Cc1c(C=C)n(CC=C(C)C)c2ccccc2c1=O.CC.CC
InChIInChI=1S/C18H19NO.2C2H6/c1-5-14-16(6-2)19(12-11-13(3)4)17-10-8-7-9-15(17)18(14)20;2*1-2/h5-11H,1-2,12H2,3-4H3;2*1-2H3
InChIKeyKVLORNVIVYWHET-UHFFFAOYSA-N
XLogP6.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol
CID 143768939
1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole
CID 174116280
2-[2,3-bis(ethenyl)indol-1-yl]-N,N-diethylethanamine
CID 143973355
1-(3-methylbut-2-enyl)-2-oxoquinoline-4-carboxylic acid
CID 62041152
1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
CID 137419756
9-prop-2-enyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7,11,13-hexaene-2,16-dione
CID 155472259
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797
10-(2-methylpropyl)acridin-9-one
CID 59742563
5-carbazol-9-yl-4-hydroxypent-1-en-3-one
CID 174669018
2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
CID 163696593

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane?
The IUPAC name of 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane (CID 143768937) is 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane is C=Cc1c(C=C)n(CC=C(C)C)c2ccccc2c1=O.CC.CC.
What is the InChIKey of 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane?
The InChIKey is KVLORNVIVYWHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.2C2H6/c1-5-14-16(6-2)19(12-11-13(3)4)17-10-8-7-9-15(17)18(14)20;2*1-2/h5-11H,1-2,12H2,3-4H3;2*1-2H3.
What are the key properties of 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane?
2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane has a molecular weight of 325.50 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane is sourced from PubChem (CID 143768937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).