(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone

C21H17N3O — CID 130405382

IUPAC(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
SMILESCc1ccc2nc(-c3ccccc3)c(C)c(C(=O)n3ccnc3)c2c1
InChIInChI=1S/C21H17N3O/c1-14-8-9-18-17(12-14)19(21(25)24-11-10-22-13-24)15(2)20(23-18)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyREUSPQIUDJJEFT-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.40
Rot. Bonds2

About (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone

(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone (PubChem CID 130405382) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
PubChem CID130405382
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
SMILESCc1ccc2nc(-c3ccccc3)c(C)c(C(=O)n3ccnc3)c2c1
InChIInChI=1S/C21H17N3O/c1-14-8-9-18-17(12-14)19(21(25)24-11-10-22-13-24)15(2)20(23-18)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyREUSPQIUDJJEFT-UHFFFAOYSA-N
XLogP4.40
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-6-iodo-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
CID 130405394
6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643751
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 31223639
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
N-ethyl-3,6-dimethyl-2-phenylquinolin-4-amine
CID 104846971
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
methyl 3,6-dimethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 71203264
3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 5113292
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
The IUPAC name of (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone (CID 130405382) is (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone.
What is the SMILES notation for (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
The canonical SMILES for (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone is Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)n3ccnc3)c2c1.
What is the InChIKey of (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
The InChIKey is REUSPQIUDJJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-8-9-18-17(12-14)19(21(25)24-11-10-22-13-24)15(2)20(23-18)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone?
(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone is sourced from PubChem (CID 130405382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).