2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline

C19H17N3O — CID 19867726

IUPAC2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline
SMILESCOc1ccc2cc(-c3nc4ccccc4n3C)cc(C)c2n1
InChIInChI=1S/C19H17N3O/c1-12-10-14(11-13-8-9-17(23-3)21-18(12)13)19-20-15-6-4-5-7-16(15)22(19)2/h4-11H,1-3H3
InChIKeyLMUBCHSJCFEPKB-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.11
Rot. Bonds2

About 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline

2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline (PubChem CID 19867726) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline.

Molecular Properties

Compound Name2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline
PubChem CID19867726
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline
SMILESCOc1ccc2cc(-c3nc4ccccc4n3C)cc(C)c2n1
InChIInChI=1S/C19H17N3O/c1-12-10-14(11-13-8-9-17(23-3)21-18(12)13)19-20-15-6-4-5-7-16(15)22(19)2/h4-11H,1-3H3
InChIKeyLMUBCHSJCFEPKB-UHFFFAOYSA-N
XLogP4.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline?
The IUPAC name of 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline (CID 19867726) is 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline.
What is the SMILES notation for 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline?
The canonical SMILES for 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline is COc1ccc2cc(-c3nc4ccccc4n3C)cc(C)c2n1.
What is the InChIKey of 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline?
The InChIKey is LMUBCHSJCFEPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-10-14(11-13-8-9-17(23-3)21-18(12)13)19-20-15-6-4-5-7-16(15)22(19)2/h4-11H,1-3H3.
What are the key properties of 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline?
2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline has a molecular weight of 303.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline is sourced from PubChem (CID 19867726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).