methyl 2-propylquinoline-4-carboxylate

C14H15NO2 — CID 841798

IUPACmethyl 2-propylquinoline-4-carboxylate
SMILESCCCc1cc(C(=O)OC)c2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-3-6-10-9-12(14(16)17-2)11-7-4-5-8-13(11)15-10/h4-5,7-9H,3,6H2,1-2H3
InChIKeyOLZCZNQLWTWUMM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.97
Rot. Bonds3

About methyl 2-propylquinoline-4-carboxylate

methyl 2-propylquinoline-4-carboxylate (PubChem CID 841798) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-propylquinoline-4-carboxylate
PubChem CID841798
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-propylquinoline-4-carboxylate
SMILESCCCc1cc(C(=O)OC)c2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-3-6-10-9-12(14(16)17-2)11-7-4-5-8-13(11)15-10/h4-5,7-9H,3,6H2,1-2H3
InChIKeyOLZCZNQLWTWUMM-UHFFFAOYSA-N
XLogP2.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propylquinoline-4-carboxylate?
The IUPAC name of methyl 2-propylquinoline-4-carboxylate (CID 841798) is methyl 2-propylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-propylquinoline-4-carboxylate?
The canonical SMILES for methyl 2-propylquinoline-4-carboxylate is CCCc1cc(C(=O)OC)c2ccccc2n1.
What is the InChIKey of methyl 2-propylquinoline-4-carboxylate?
The InChIKey is OLZCZNQLWTWUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-6-10-9-12(14(16)17-2)11-7-4-5-8-13(11)15-10/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of methyl 2-propylquinoline-4-carboxylate?
methyl 2-propylquinoline-4-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propylquinoline-4-carboxylate is sourced from PubChem (CID 841798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).