8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one

C20H16N6O — CID 138806067

IUPAC8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one
SMILESCc1cccc2cc(-c3nccn3-c3cccc4c3nnn4C)c(=O)[nH]c12
InChIInChI=1S/C20H16N6O/c1-12-5-3-6-13-11-14(20(27)22-17(12)13)19-21-9-10-26(19)16-8-4-7-15-18(16)23-24-25(15)2/h3-11H,1-2H3,(H,22,27)
InChIKeyLAERYOKLECEDQP-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.97
Rot. Bonds2

About 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one

8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one (PubChem CID 138806067) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one
PubChem CID138806067
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one
SMILESCc1cccc2cc(-c3nccn3-c3cccc4c3nnn4C)c(=O)[nH]c12
InChIInChI=1S/C20H16N6O/c1-12-5-3-6-13-11-14(20(27)22-17(12)13)19-21-9-10-26(19)16-8-4-7-15-18(16)23-24-25(15)2/h3-11H,1-2H3,(H,22,27)
InChIKeyLAERYOKLECEDQP-UHFFFAOYSA-N
XLogP2.97
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1,2-oxazole
CID 138807759
3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one
CID 146045413
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one
CID 1433063
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
N-(8-methyl-2-oxo-1H-quinolin-3-yl)acetamide
CID 14627531
3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one
CID 14627403
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one
CID 940950
4-[1-(2-methyl-1H-benzimidazol-4-yl)imidazol-2-yl]pyridin-2-amine
CID 146045395
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-propan-2-ylazanium
CID 2066167
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-[4-(diethylamino)piperidin-1-yl]-8-methyl-1H-quinolin-2-one
CID 14627498

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one (CID 138806067) is 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one is Cc1cccc2cc(-c3nccn3-c3cccc4c3nnn4C)c(=O)[nH]c12.
What is the InChIKey of 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is LAERYOKLECEDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-12-5-3-6-13-11-14(20(27)22-17(12)13)19-21-9-10-26(19)16-8-4-7-15-18(16)23-24-25(15)2/h3-11H,1-2H3,(H,22,27).
What are the key properties of 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one?
8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 356.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[1-(1-methylbenzotriazol-4-yl)imidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 138806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).