1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one

C22H23N3O — CID 23177813

IUPAC1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one
SMILESCCN1C(=O)CC(C)(C)c2cc(-c3cnc(-c4ccccc4)[nH]3)ccc21
InChIInChI=1S/C22H23N3O/c1-4-25-19-11-10-16(12-17(19)22(2,3)13-20(25)26)18-14-23-21(24-18)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChIKeyNTZVOSKGNUTCEH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.78
Rot. Bonds3

About 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one

1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one (PubChem CID 23177813) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one
PubChem CID23177813
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one
SMILESCCN1C(=O)CC(C)(C)c2cc(-c3cnc(-c4ccccc4)[nH]3)ccc21
InChIInChI=1S/C22H23N3O/c1-4-25-19-11-10-16(12-17(19)22(2,3)13-20(25)26)18-14-23-21(24-18)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,23,24)
InChIKeyNTZVOSKGNUTCEH-UHFFFAOYSA-N
XLogP4.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one?
The IUPAC name of 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one (CID 23177813) is 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one.
What is the SMILES notation for 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one?
The canonical SMILES for 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one is CCN1C(=O)CC(C)(C)c2cc(-c3cnc(-c4ccccc4)[nH]3)ccc21.
What is the InChIKey of 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one?
The InChIKey is NTZVOSKGNUTCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-25-19-11-10-16(12-17(19)22(2,3)13-20(25)26)18-14-23-21(24-18)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,23,24).
What are the key properties of 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one?
1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethyl-6-(2-phenyl-1H-imidazol-5-yl)-3H-quinolin-2-one is sourced from PubChem (CID 23177813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).