6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline

C29H23NO — CID 134156187

IUPAC6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESCc1cc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2cc1C
InChIInChI=1S/C29H23NO/c1-20-16-27-26(22-10-5-3-6-11-22)19-28(30-29(27)17-21(20)2)23-12-9-15-25(18-23)31-24-13-7-4-8-14-24/h3-19H,1-2H3
InChIKeyIKJCRJLLHCOTJQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP7.98
Rot. Bonds4

About 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline

6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline (PubChem CID 134156187) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline
PubChem CID134156187
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline
SMILESCc1cc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2cc1C
InChIInChI=1S/C29H23NO/c1-20-16-27-26(22-10-5-3-6-11-22)19-28(30-29(27)17-21(20)2)23-12-9-15-25(18-23)31-24-13-7-4-8-14-24/h3-19H,1-2H3
InChIKeyIKJCRJLLHCOTJQ-UHFFFAOYSA-N
XLogP7.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline?
The IUPAC name of 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline (CID 134156187) is 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline.
What is the SMILES notation for 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline?
The canonical SMILES for 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline is Cc1cc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline?
The InChIKey is IKJCRJLLHCOTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO/c1-20-16-27-26(22-10-5-3-6-11-22)19-28(30-29(27)17-21(20)2)23-12-9-15-25(18-23)31-24-13-7-4-8-14-24/h3-19H,1-2H3.
What are the key properties of 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline?
6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline has a molecular weight of 401.51 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(3-phenoxyphenyl)-4-phenylquinoline is sourced from PubChem (CID 134156187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).