4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline

C30H23N5O — CID 25030940

IUPAC4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline
SMILESCOc1ccnc2c(-c3ccc(-c4nc(-c5ccccn5)cn4-c4cccnc4)cc3)cc(C)cc12
InChIInChI=1S/C30H23N5O/c1-20-16-24(29-25(17-20)28(36-2)12-15-33-29)21-8-10-22(11-9-21)30-34-27(26-7-3-4-14-32-26)19-35(30)23-6-5-13-31-18-23/h3-19H,1-2H3
InChIKeyKKFXHEWQXJNVFK-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.53
Rot. Bonds5

About 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline

4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline (PubChem CID 25030940) has the molecular formula C30H23N5O and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline
PubChem CID25030940
Molecular FormulaC30H23N5O
Molecular Weight469.55 g/mol
Exact Mass469.19
IUPAC Name4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline
SMILESCOc1ccnc2c(-c3ccc(-c4nc(-c5ccccn5)cn4-c4cccnc4)cc3)cc(C)cc12
InChIInChI=1S/C30H23N5O/c1-20-16-24(29-25(17-20)28(36-2)12-15-33-29)21-8-10-22(11-9-21)30-34-27(26-7-3-4-14-32-26)19-35(30)23-6-5-13-31-18-23/h3-19H,1-2H3
InChIKeyKKFXHEWQXJNVFK-UHFFFAOYSA-N
XLogP6.53
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline?
The IUPAC name of 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline (CID 25030940) is 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline.
What is the SMILES notation for 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline?
The canonical SMILES for 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline is COc1ccnc2c(-c3ccc(-c4nc(-c5ccccn5)cn4-c4cccnc4)cc3)cc(C)cc12.
What is the InChIKey of 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline?
The InChIKey is KKFXHEWQXJNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O/c1-20-16-24(29-25(17-20)28(36-2)12-15-33-29)21-8-10-22(11-9-21)30-34-27(26-7-3-4-14-32-26)19-35(30)23-6-5-13-31-18-23/h3-19H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline?
4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline has a molecular weight of 469.55 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-8-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]quinoline is sourced from PubChem (CID 25030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).