ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen

C24H27N3O — CID 143057224

IUPACethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen
SMILESC=Cc1ccc(C(c2ccc3[nH]c(=O)c(C)cc3c2)n2ccnc2)cc1.CC.[H][H]
InChIInChI=1S/C22H19N3O.C2H6.H2/c1-3-16-4-6-17(7-5-16)21(25-11-10-23-14-25)18-8-9-20-19(13-18)12-15(2)22(26)24-20;1-2;/h3-14,21H,1H2,2H3,(H,24,26);1-2H3;1H
InChIKeyBCHAGZVQWIWIHM-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.59
Rot. Bonds4

About ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen

ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen (PubChem CID 143057224) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen
PubChem CID143057224
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Nameethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen
SMILESC=Cc1ccc(C(c2ccc3[nH]c(=O)c(C)cc3c2)n2ccnc2)cc1.CC.[H][H]
InChIInChI=1S/C22H19N3O.C2H6.H2/c1-3-16-4-6-17(7-5-16)21(25-11-10-23-14-25)18-8-9-20-19(13-18)12-15(2)22(26)24-20;1-2;/h3-14,21H,1H2,2H3,(H,24,26);1-2H3;1H
InChIKeyBCHAGZVQWIWIHM-UHFFFAOYSA-N
XLogP5.59
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen?
The IUPAC name of ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen (CID 143057224) is ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen.
What is the SMILES notation for ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen?
The canonical SMILES for ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen is C=Cc1ccc(C(c2ccc3[nH]c(=O)c(C)cc3c2)n2ccnc2)cc1.CC.[H][H].
What is the InChIKey of ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen?
The InChIKey is BCHAGZVQWIWIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.C2H6.H2/c1-3-16-4-6-17(7-5-16)21(25-11-10-23-14-25)18-8-9-20-19(13-18)12-15(2)22(26)24-20;1-2;/h3-14,21H,1H2,2H3,(H,24,26);1-2H3;1H.
What are the key properties of ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen?
ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen has a molecular weight of 373.50 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen is sourced from PubChem (CID 143057224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).