methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate

C15H15NO2 — CID 165133811

IUPACmethyl 3-cyclopropyl-8-methylquinoline-6-carboxylate
SMILESCOC(=O)c1cc(C)c2ncc(C3CC3)cc2c1
InChIInChI=1S/C15H15NO2/c1-9-5-12(15(17)18-2)6-11-7-13(10-3-4-10)8-16-14(9)11/h5-8,10H,3-4H2,1-2H3
InChIKeySXNXJHWGNNDSSP-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.21
Rot. Bonds2

About methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate

methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate (PubChem CID 165133811) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-8-methylquinoline-6-carboxylate
PubChem CID165133811
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-cyclopropyl-8-methylquinoline-6-carboxylate
SMILESCOC(=O)c1cc(C)c2ncc(C3CC3)cc2c1
InChIInChI=1S/C15H15NO2/c1-9-5-12(15(17)18-2)6-11-7-13(10-3-4-10)8-16-14(9)11/h5-8,10H,3-4H2,1-2H3
InChIKeySXNXJHWGNNDSSP-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate (CID 165133811) is methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate is COC(=O)c1cc(C)c2ncc(C3CC3)cc2c1.
What is the InChIKey of methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate?
The InChIKey is SXNXJHWGNNDSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-5-12(15(17)18-2)6-11-7-13(10-3-4-10)8-16-14(9)11/h5-8,10H,3-4H2,1-2H3.
What are the key properties of methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate?
methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-8-methylquinoline-6-carboxylate is sourced from PubChem (CID 165133811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).