(1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone

C16H13N3O — CID 143725123

IUPAC(1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone
SMILESC=Cn1cnc(C(=O)c2ccc3cccnc3c2C)c1
InChIInChI=1S/C16H13N3O/c1-3-19-9-14(18-10-19)16(20)13-7-6-12-5-4-8-17-15(12)11(13)2/h3-10H,1H2,2H3
InChIKeyVDPMEZOCMFOROQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.07
Rot. Bonds3

About (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone

(1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone (PubChem CID 143725123) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone.

Molecular Properties

Compound Name(1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone
PubChem CID143725123
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone
SMILESC=Cn1cnc(C(=O)c2ccc3cccnc3c2C)c1
InChIInChI=1S/C16H13N3O/c1-3-19-9-14(18-10-19)16(20)13-7-6-12-5-4-8-17-15(12)11(13)2/h3-10H,1H2,2H3
InChIKeyVDPMEZOCMFOROQ-UHFFFAOYSA-N
XLogP3.07
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-7-[1-(1-tritylimidazol-4-yl)ethenyl]quinoline
CID 59749544
2-hydroxy-1-(8-hydroxyquinolin-7-yl)ethanone;2-hydroxy-1-(8-methylquinolin-7-yl)ethanone
CID 159756197
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
osmium;tris(1,10-phenanthroline)
CID 14251798
7,8-dimethylquinoline;ethane
CID 91494918
dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
quinoline-7,8-dicarboxylic acid
CID 19101920
palladium;quinoline-8-carboxylic acid
CID 174945118
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843

Frequently Asked Questions

What is the IUPAC name of (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone?
The IUPAC name of (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone (CID 143725123) is (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone.
What is the SMILES notation for (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone?
The canonical SMILES for (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone is C=Cn1cnc(C(=O)c2ccc3cccnc3c2C)c1.
What is the InChIKey of (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone?
The InChIKey is VDPMEZOCMFOROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-3-19-9-14(18-10-19)16(20)13-7-6-12-5-4-8-17-15(12)11(13)2/h3-10H,1H2,2H3.
What are the key properties of (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone?
(1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylimidazol-4-yl)-(8-methylquinolin-7-yl)methanone is sourced from PubChem (CID 143725123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).