methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate

C19H15N3O3 — CID 21020314

IUPACmethyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
SMILESCOC(=O)c1cccc2ccc(-n3cnc4cc(OC)ccc43)nc12
InChIInChI=1S/C19H15N3O3/c1-24-13-7-8-16-15(10-13)20-11-22(16)17-9-6-12-4-3-5-14(18(12)21-17)19(23)25-2/h3-11H,1-2H3
InChIKeyRMKKMPKSAYASLE-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.37
Rot. Bonds3

About methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate

methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate (PubChem CID 21020314) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
PubChem CID21020314
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Namemethyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
SMILESCOC(=O)c1cccc2ccc(-n3cnc4cc(OC)ccc43)nc12
InChIInChI=1S/C19H15N3O3/c1-24-13-7-8-16-15(10-13)20-11-22(16)17-9-6-12-4-3-5-14(18(12)21-17)19(23)25-2/h3-11H,1-2H3
InChIKeyRMKKMPKSAYASLE-UHFFFAOYSA-N
XLogP3.37
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate?
The IUPAC name of methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate (CID 21020314) is methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate.
What is the SMILES notation for methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate?
The canonical SMILES for methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate is COC(=O)c1cccc2ccc(-n3cnc4cc(OC)ccc43)nc12.
What is the InChIKey of methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate?
The InChIKey is RMKKMPKSAYASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-24-13-7-8-16-15(10-13)20-11-22(16)17-9-6-12-4-3-5-14(18(12)21-17)19(23)25-2/h3-11H,1-2H3.
What are the key properties of methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate?
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate is sourced from PubChem (CID 21020314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).