2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline

C23H17N3O — CID 163399793

IUPAC2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
SMILESc1ccc(Oc2cccc(Cc3nc4c(cnc5ccccc54)[nH]3)c2)cc1
InChIInChI=1S/C23H17N3O/c1-2-8-17(9-3-1)27-18-10-6-7-16(13-18)14-22-25-21-15-24-20-12-5-4-11-19(20)23(21)26-22/h1-13,15H,14H2,(H,25,26)
InChIKeyVZTBBHIHVQMYIB-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.49
Rot. Bonds4

About 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline

2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline (PubChem CID 163399793) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
PubChem CID163399793
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
SMILESc1ccc(Oc2cccc(Cc3nc4c(cnc5ccccc54)[nH]3)c2)cc1
InChIInChI=1S/C23H17N3O/c1-2-8-17(9-3-1)27-18-10-6-7-16(13-18)14-22-25-21-15-24-20-12-5-4-11-19(20)23(21)26-22/h1-13,15H,14H2,(H,25,26)
InChIKeyVZTBBHIHVQMYIB-UHFFFAOYSA-N
XLogP5.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline (CID 163399793) is 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline is c1ccc(Oc2cccc(Cc3nc4c(cnc5ccccc54)[nH]3)c2)cc1.
What is the InChIKey of 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline?
The InChIKey is VZTBBHIHVQMYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-8-17(9-3-1)27-18-10-6-7-16(13-18)14-22-25-21-15-24-20-12-5-4-11-19(20)23(21)26-22/h1-13,15H,14H2,(H,25,26).
What are the key properties of 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline?
2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline has a molecular weight of 351.41 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 163399793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).