5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline

C20H18N4O — CID 77097835

IUPAC5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline
SMILESCOc1ccc(-c2ccc(Cn3ccnc3)cn2)c2ccc(C)nc12
InChIInChI=1S/C20H18N4O/c1-14-3-5-17-16(6-8-19(25-2)20(17)23-14)18-7-4-15(11-22-18)12-24-10-9-21-13-24/h3-11,13H,12H2,1-2H3
InChIKeyXHZZRQOMVBQLRJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.86
Rot. Bonds4

About 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline

5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline (PubChem CID 77097835) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline
PubChem CID77097835
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline
SMILESCOc1ccc(-c2ccc(Cn3ccnc3)cn2)c2ccc(C)nc12
InChIInChI=1S/C20H18N4O/c1-14-3-5-17-16(6-8-19(25-2)20(17)23-14)18-7-4-15(11-22-18)12-24-10-9-21-13-24/h3-11,13H,12H2,1-2H3
InChIKeyXHZZRQOMVBQLRJ-UHFFFAOYSA-N
XLogP3.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline?
The IUPAC name of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline (CID 77097835) is 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline.
What is the SMILES notation for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline?
The canonical SMILES for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline is COc1ccc(-c2ccc(Cn3ccnc3)cn2)c2ccc(C)nc12.
What is the InChIKey of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline?
The InChIKey is XHZZRQOMVBQLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-3-5-17-16(6-8-19(25-2)20(17)23-14)18-7-4-15(11-22-18)12-24-10-9-21-13-24/h3-11,13H,12H2,1-2H3.
What are the key properties of 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline?
5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline has a molecular weight of 330.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-8-methoxy-2-methylquinoline is sourced from PubChem (CID 77097835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).