1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one

C19H18N2O — CID 99945365

IUPAC1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one
SMILESC/C(=C/c1nc2ccccc2n(C)c1=O)c1ccc(C)cc1
InChIInChI=1S/C19H18N2O/c1-13-8-10-15(11-9-13)14(2)12-17-19(22)21(3)18-7-5-4-6-16(18)20-17/h4-12H,1-3H3/b14-12-
InChIKeyKDVBHBUHOSPLEZ-OWBHPGMISA-N
MW290.37 g/mol
LogP3.80
Rot. Bonds2

About 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one

1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one (PubChem CID 99945365) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one
PubChem CID99945365
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one
SMILESC/C(=C/c1nc2ccccc2n(C)c1=O)c1ccc(C)cc1
InChIInChI=1S/C19H18N2O/c1-13-8-10-15(11-9-13)14(2)12-17-19(22)21(3)18-7-5-4-6-16(18)20-17/h4-12H,1-3H3/b14-12-
InChIKeyKDVBHBUHOSPLEZ-OWBHPGMISA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
3-ethenyl-1-methylquinoxalin-2-one;pyridine
CID 174761372
(1-ethenylbenzimidazol-2-yl)-(4-methylphenyl)methanone
CID 23116964
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methylquinoxalin-2-one
CID 7186381
1-methyl-2-[2-(4-methylphenyl)ethenyl]benzimidazole
CID 54355497
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
4-(4-methyl-3-oxoquinoxalin-2-yl)-N-propan-2-ylbenzamide
CID 46395275
3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
CID 1493865
3-(dimethylamino)-1-methylquinoxalin-2-one
CID 1471092
ethane;1-methyl-2-[4-[(2E,5E)-octa-2,5,7-trien-2-yl]phenyl]benzimidazole
CID 142453469
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
1,2-dimethylbenzimidazole;formaldehyde;methanol
CID 90743807

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one (CID 99945365) is 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one is C/C(=C/c1nc2ccccc2n(C)c1=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one?
The InChIKey is KDVBHBUHOSPLEZ-OWBHPGMISA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-8-10-15(11-9-13)14(2)12-17-19(22)21(3)18-7-5-4-6-16(18)20-17/h4-12H,1-3H3/b14-12-.
What are the key properties of 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one?
1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one is sourced from PubChem (CID 99945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).