1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one

C23H24N4O3 — CID 166726399

IUPAC1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
SMILESCn1c(=O)ccc2cc(-c3cnc(CCCCCCC(=O)c4ccon4)[nH]3)ccc21
InChIInChI=1S/C23H24N4O3/c1-27-20-10-8-16(14-17(20)9-11-23(27)29)19-15-24-22(25-19)7-5-3-2-4-6-21(28)18-12-13-30-26-18/h8-15H,2-7H2,1H3,(H,24,25)
InChIKeyLMVSTCXXEIYKJX-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.29
Rot. Bonds9

About 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one

1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one (PubChem CID 166726399) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
PubChem CID166726399
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
SMILESCn1c(=O)ccc2cc(-c3cnc(CCCCCCC(=O)c4ccon4)[nH]3)ccc21
InChIInChI=1S/C23H24N4O3/c1-27-20-10-8-16(14-17(20)9-11-23(27)29)19-15-24-22(25-19)7-5-3-2-4-6-21(28)18-12-13-30-26-18/h8-15H,2-7H2,1H3,(H,24,25)
InChIKeyLMVSTCXXEIYKJX-UHFFFAOYSA-N
XLogP4.29
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one with MolForge

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Related Compounds

7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one
CID 153400014
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185
(7S)-7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146317146
7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
CID 146317243
5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116878465
2-(dimethylamino)-N-[(1S)-1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
CID 146317134
2-(dimethylamino)-N-[1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
CID 146317135
2-(methylamino)-N-[5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]benzamide
CID 155172384
4-amino-1-(1,2-oxazol-3-yl)butan-1-one
CID 82416682
7-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;1-sulfanylazetidine-3-carboxamide
CID 153399809
2-[5-[2-(methoxymethyl)phenyl]pentyl]-5-naphthalen-2-yl-1H-imidazole
CID 155705148
8-[5-[4-(3,4-dihydropyrazol-2-yl)phenyl]-1H-imidazol-2-yl]octan-2-one
CID 144617626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
The IUPAC name of 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one (CID 166726399) is 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one is Cn1c(=O)ccc2cc(-c3cnc(CCCCCCC(=O)c4ccon4)[nH]3)ccc21.
What is the InChIKey of 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
The InChIKey is LMVSTCXXEIYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27-20-10-8-16(14-17(20)9-11-23(27)29)19-15-24-22(25-19)7-5-3-2-4-6-21(28)18-12-13-30-26-18/h8-15H,2-7H2,1H3,(H,24,25).
What are the key properties of 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one has a molecular weight of 404.47 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-[7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one is sourced from PubChem (CID 166726399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).