2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane

C20H17N3O2 — CID 157257379

IUPAC2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane
SMILESC.c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ccc3c2)cn1
InChIInChI=1S/C19H13N3O2.CH4/c1-4-16(14-2-6-18-19(10-14)24-12-23-18)21-17-5-3-15(9-13(1)17)22-8-7-20-11-22;/h1-11H,12H2;1H4
InChIKeyAXAWSFJQWQWFDI-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.45
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane

2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane (PubChem CID 157257379) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane
PubChem CID157257379
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane
SMILESC.c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ccc3c2)cn1
InChIInChI=1S/C19H13N3O2.CH4/c1-4-16(14-2-6-18-19(10-14)24-12-23-18)21-17-5-3-15(9-13(1)17)22-8-7-20-11-22;/h1-11H,12H2;1H4
InChIKeyAXAWSFJQWQWFDI-UHFFFAOYSA-N
XLogP4.45
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6-imidazol-1-ylquinoline;dihydrochloride
CID 67205541
6-imidazol-1-yl-2-[4-(trifluoromethoxy)phenyl]quinoline
CID 44603409
2-(1,3-benzodioxol-5-yl)-4-imidazol-1-ylpyrimidine
CID 3234102
3-(1,3-benzodioxol-5-yl)-4,7-phenanthroline
CID 71482313
1-naphthalen-2-ylimidazole
CID 23644748
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
N-(1,3-benzodioxol-5-yl)-5-(4-chlorophenyl)-2-imidazol-1-yl-N-methylpyrimidin-4-amine
CID 54283001
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
3-[4-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)imino-1,3-thiazol-3-yl]propan-1-amine
CID 20815410
6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 67620047
4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)pyrimidine
CID 116899243

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane (CID 157257379) is 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane is C.c1cn(-c2ccc3nc(-c4ccc5c(c4)OCO5)ccc3c2)cn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane?
The InChIKey is AXAWSFJQWQWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2.CH4/c1-4-16(14-2-6-18-19(10-14)24-12-23-18)21-17-5-3-15(9-13(1)17)22-8-7-20-11-22;/h1-11H,12H2;1H4.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane?
2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane has a molecular weight of 331.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-imidazol-1-ylquinoline;methane is sourced from PubChem (CID 157257379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).