(1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate

C16H15N3O2 — CID 86782051

IUPAC(1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate
SMILESCc1ccc2cc(C(=O)OCc3nccn3C)ccc2n1
InChIInChI=1S/C16H15N3O2/c1-11-3-4-12-9-13(5-6-14(12)18-11)16(20)21-10-15-17-7-8-19(15)2/h3-9H,10H2,1-2H3
InChIKeyJCTAMBFUURSYPM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.63
Rot. Bonds3

About (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate

(1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate (PubChem CID 86782051) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate
PubChem CID86782051
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate
SMILESCc1ccc2cc(C(=O)OCc3nccn3C)ccc2n1
InChIInChI=1S/C16H15N3O2/c1-11-3-4-12-9-13(5-6-14(12)18-11)16(20)21-10-15-17-7-8-19(15)2/h3-9H,10H2,1-2H3
InChIKeyJCTAMBFUURSYPM-UHFFFAOYSA-N
XLogP2.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate?
The IUPAC name of (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate (CID 86782051) is (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate.
What is the SMILES notation for (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate?
The canonical SMILES for (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate is Cc1ccc2cc(C(=O)OCc3nccn3C)ccc2n1.
What is the InChIKey of (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate?
The InChIKey is JCTAMBFUURSYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-3-4-12-9-13(5-6-14(12)18-11)16(20)21-10-15-17-7-8-19(15)2/h3-9H,10H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate?
(1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)methyl 2-methylquinoline-6-carboxylate is sourced from PubChem (CID 86782051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).