2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol

C19H25NOS — CID 143768939

IUPAC2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol
SMILESC=CCn1c(C=C)c(C=C)c(=O)c2ccccc21.CC.CS
InChIInChI=1S/C16H15NO.C2H6.CH4S/c1-4-11-17-14(6-3)12(5-2)16(18)13-9-7-8-10-15(13)17;2*1-2/h4-10H,1-3,11H2;1-2H3;2H,1H3
InChIKeyKLWXXEUVEQCDGZ-UHFFFAOYSA-N
MW315.48 g/mol
LogP5.05
Rot. Bonds4

About 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol

2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol (PubChem CID 143768939) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol
PubChem CID143768939
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol
SMILESC=CCn1c(C=C)c(C=C)c(=O)c2ccccc21.CC.CS
InChIInChI=1S/C16H15NO.C2H6.CH4S/c1-4-11-17-14(6-3)12(5-2)16(18)13-9-7-8-10-15(13)17;2*1-2/h4-10H,1-3,11H2;1-2H3;2H,1H3
InChIKeyKLWXXEUVEQCDGZ-UHFFFAOYSA-N
XLogP5.05
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane
CID 143768937
1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole
CID 174116280
2-[2,3-bis(ethenyl)indol-1-yl]-N,N-diethylethanamine
CID 143973355
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
1-methyl-3-prop-2-enyl-4-sulfanylidenequinazolin-2-one
CID 3031685
13-hydroxy-3,23-bis(prop-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 155807298
ethyl 2-(2,4-dioxo-3-prop-2-enylquinazolin-1-yl)acetate
CID 97035556
2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one
CID 25011612
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
CID 137419756
2-methyl-3-prop-2-enylquinazolin-1-ium-4-one
CID 4016017
[1,3-bis(prop-2-enyl)benzimidazol-2-ylidene]chromium
CID 11429221
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol?
The IUPAC name of 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol (CID 143768939) is 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol.
What is the SMILES notation for 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol?
The canonical SMILES for 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol is C=CCn1c(C=C)c(C=C)c(=O)c2ccccc21.CC.CS.
What is the InChIKey of 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol?
The InChIKey is KLWXXEUVEQCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.C2H6.CH4S/c1-4-11-17-14(6-3)12(5-2)16(18)13-9-7-8-10-15(13)17;2*1-2/h4-10H,1-3,11H2;1-2H3;2H,1H3.
What are the key properties of 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol?
2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol has a molecular weight of 315.48 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-prop-2-enylquinolin-4-one;ethane;methanethiol is sourced from PubChem (CID 143768939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).