3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one

C19H23N3O2 — CID 146045413

IUPAC3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one
SMILESCOC(C)(C)CCn1ccnc1-c1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C19H23N3O2/c1-13-6-5-7-14-12-15(18(23)21-16(13)14)17-20-9-11-22(17)10-8-19(2,3)24-4/h5-7,9,11-12H,8,10H2,1-4H3,(H,21,23)
InChIKeyUZBFWSUHLBGVET-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.52
Rot. Bonds5

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

3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one (PubChem CID 146045413) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one
PubChem CID146045413
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one
SMILESCOC(C)(C)CCn1ccnc1-c1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C19H23N3O2/c1-13-6-5-7-14-12-15(18(23)21-16(13)14)17-20-9-11-22(17)10-8-19(2,3)24-4/h5-7,9,11-12H,8,10H2,1-4H3,(H,21,23)
InChIKeyUZBFWSUHLBGVET-UHFFFAOYSA-N
XLogP3.52
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one (CID 146045413) is 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one is COC(C)(C)CCn1ccnc1-c1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one?
The InChIKey is UZBFWSUHLBGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-6-5-7-14-12-15(18(23)21-16(13)14)17-20-9-11-22(17)10-8-19(2,3)24-4/h5-7,9,11-12H,8,10H2,1-4H3,(H,21,23).
What are the key properties of 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one?
3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 146045413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).