propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline

C23H26N2O2 — CID 144909274

IUPACpropane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
SMILESCCC.Cc1cc(C)c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)nc2c1C
InChIInChI=1S/C20H18N2O2.C3H8/c1-13-11-14(2)19-10-9-17(21-20(19)15(13)3)8-7-16-5-4-6-18(12-16)22(23)24;1-3-2/h4-12H,1-3H3;3H2,1-2H3/b8-7+;
InChIKeyXPGIXWGNOLSYHJ-USRGLUTNSA-N
MW362.47 g/mol
LogP6.65
Rot. Bonds3

About propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline

propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline (PubChem CID 144909274) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Namepropane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
PubChem CID144909274
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namepropane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
SMILESCCC.Cc1cc(C)c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)nc2c1C
InChIInChI=1S/C20H18N2O2.C3H8/c1-13-11-14(2)19-10-9-17(21-20(19)15(13)3)8-7-16-5-4-6-18(12-16)22(23)24;1-3-2/h4-12H,1-3H3;3H2,1-2H3/b8-7+;
InChIKeyXPGIXWGNOLSYHJ-USRGLUTNSA-N
XLogP6.65
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
CID 100934830
N-(4-methylphenyl)-4,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-amine
CID 6163011
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
7-[(E)-2-(3-nitrophenyl)ethenyl]benzo[c]acridine
CID 6526686
2-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]-6-pyrrolidin-1-ylpyrimidine
CID 18763592
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
1-hex-1-enyl-3-nitrobenzene
CID 54569294
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
3-(3-nitrophenyl)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-en-1-one
CID 2776718

Frequently Asked Questions

What is the IUPAC name of propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
The IUPAC name of propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline (CID 144909274) is propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline.
What is the SMILES notation for propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
The canonical SMILES for propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline is CCC.Cc1cc(C)c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)nc2c1C.
What is the InChIKey of propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
The InChIKey is XPGIXWGNOLSYHJ-USRGLUTNSA-N. The full InChI is InChI=1S/C20H18N2O2.C3H8/c1-13-11-14(2)19-10-9-17(21-20(19)15(13)3)8-7-16-5-4-6-18(12-16)22(23)24;1-3-2/h4-12H,1-3H3;3H2,1-2H3/b8-7+;.
What are the key properties of propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline?
propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline has a molecular weight of 362.47 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;5,7,8-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 144909274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).