methyl 6-butyl-4-methylquinoline-2-carboxylate

C16H19NO2 — CID 82574615

IUPACmethyl 6-butyl-4-methylquinoline-2-carboxylate
SMILESCCCCc1ccc2nc(C(=O)OC)cc(C)c2c1
InChIInChI=1S/C16H19NO2/c1-4-5-6-12-7-8-14-13(10-12)11(2)9-15(17-14)16(18)19-3/h7-10H,4-6H2,1-3H3
InChIKeyMIPYOSXDIAKMAN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.67
Rot. Bonds4

About methyl 6-butyl-4-methylquinoline-2-carboxylate

methyl 6-butyl-4-methylquinoline-2-carboxylate (PubChem CID 82574615) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 6-butyl-4-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-butyl-4-methylquinoline-2-carboxylate
PubChem CID82574615
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 6-butyl-4-methylquinoline-2-carboxylate
SMILESCCCCc1ccc2nc(C(=O)OC)cc(C)c2c1
InChIInChI=1S/C16H19NO2/c1-4-5-6-12-7-8-14-13(10-12)11(2)9-15(17-14)16(18)19-3/h7-10H,4-6H2,1-3H3
InChIKeyMIPYOSXDIAKMAN-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-butyl-4-methylquinoline-2-carboxylate?
The IUPAC name of methyl 6-butyl-4-methylquinoline-2-carboxylate (CID 82574615) is methyl 6-butyl-4-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 6-butyl-4-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 6-butyl-4-methylquinoline-2-carboxylate is CCCCc1ccc2nc(C(=O)OC)cc(C)c2c1.
What is the InChIKey of methyl 6-butyl-4-methylquinoline-2-carboxylate?
The InChIKey is MIPYOSXDIAKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-5-6-12-7-8-14-13(10-12)11(2)9-15(17-14)16(18)19-3/h7-10H,4-6H2,1-3H3.
What are the key properties of methyl 6-butyl-4-methylquinoline-2-carboxylate?
methyl 6-butyl-4-methylquinoline-2-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-butyl-4-methylquinoline-2-carboxylate is sourced from PubChem (CID 82574615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).